Category: chlorides-buliding-blocks

Identification of Novel d-Amino Acid Oxidase Inhibitors by in Silico Screening and Their Functional Characterization in Vitro was written by Katane, Masumi;Osaka, Naoko;Matsuda, Satsuki;Maeda, Kazuhiro;Kawata, Tomonori;Saitoh, Yasuaki;Sekine, Masae;Furuchi, Takemitsu;Doi, Issei;Hirono, Shuichi;Homma, Hiroshi. And the article was included in Journal of Medicinal Chemistry in 2013.Application In Synthesis of 3-Chloro-2,6-difluorobenzoic acid This article mentions the following:

D-Amino acid oxidase (DAO) is a degradative enzyme that is stereospecific for d-amino acids, including d-serine and d-alanine, which are potential coagonists of the N-methyl-d-aspartate (NMDA) receptor. Dysfunction of NMDA receptor-mediated neurotransmission has been implicated in the onset of various mental disorders such as schizophrenia. Hence, a DAO inhibitor that augments the brain levels of d-serine and/or d-alanine and thereby activates NMDA receptor function is expected to be an antipsychotic drug, for instance, in the treatment of schizophrenia. In the search for potent DAO inhibitor(s), a large number of compounds were screened in silico, and several compounds were estimated as candidates. These compounds were then characterized and evaluated as novel DAO inhibitors in vitro. The results reported in this study indicate that some of these compounds are possible lead compounds for the development of a clin. useful DAO inhibitor and have the potential to serve as active site probes to elucidate the structure-function relationships of DAO. In the experiment, the researchers used many compounds, for example, 3-Chloro-2,6-difluorobenzoic acid (cas: 225104-76-7Application In Synthesis of 3-Chloro-2,6-difluorobenzoic acid).

3-Chloro-2,6-difluorobenzoic acid (cas: 225104-76-7) belongs to organic chlorides. Organochlorines are organic compounds having multiple chlorine atoms. They were the first synthetic pesticides that were used in agriculture. They are resistant to most microbial and chemical degradations. The haloform reaction, using chlorine and sodium hydroxide, is also able to generate alkyl halides from methyl ketones, and related compounds. Chloroform was formerly produced thus.Application In Synthesis of 3-Chloro-2,6-difluorobenzoic acid

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Synthesis and Structure-Activity Relationships of Novel 7-Substituted 1,4-Dihydro-4-oxo-1-(2-thiazolyl)-1,8-naphthyridine-3-carboxylic Acids as Antitumor Agents. Part 1 was written by Tomita, Kyoji;Tsuzuki, Yasunori;Shibamori, Koh-ichiro;Tashima, Masanori;Kajikawa, Fumie;Sato, Yuji;Kashimoto, Shigeki;Chiba, Katsumi;Hino, Katsuhiko. And the article was included in Journal of Medicinal Chemistry in 2002.Recommanded Product: Ethyl 3-(2,6-Dichloro-5-fluoro-3-pyridyl)-3-oxopropionate This article mentions the following:

Title compounds, e.g. I (R = H₂NCH₂CH₂NH, 1-pyrrolidinyl, 3-hydroxy-1-pyrrolidinyl), possess moderate cytotoxic activity. Structure-activity relationships of title compounds were investigated by changing substituents at N-1 and C-7 positions and the core ring structure itself and evaluated the synthesized compounds against several murine and human tumor cell lines. The 2-thiazolyl group at the N-1 position of the naphthyridine structure is the best substituent for antitumor activity and regarding core ring structure, the naphthyridine derivative is the most active followed by pyridopyrimidine analog. At the C-7 position, aminopyrrolidine derivatives are more effective than other amines or thioether derivatives I (R = 3-amino-4-methoxy-1-pyrrolidinyl, 3-amino-3-methyl-1-pyrrolidinyl, 3-aminopyrrolidinyl) were determined to be effective in vitro and in vivo antitumor assays, and their activity was comparable to that of etoposide. In the experiment, the researchers used many compounds, for example, Ethyl 3-(2,6-Dichloro-5-fluoro-3-pyridyl)-3-oxopropionate (cas: 96568-04-6Recommanded Product: Ethyl 3-(2,6-Dichloro-5-fluoro-3-pyridyl)-3-oxopropionate).

Ethyl 3-(2,6-Dichloro-5-fluoro-3-pyridyl)-3-oxopropionate (cas: 96568-04-6) belongs to organic chlorides. Organochlorines stimulate the central nervous system and cause convulsions, tremor, nausea, and mental confusion. Examples are dichlorodiphenyltrichloroethane (DDT), chlordane, lindane, endosulfan, and dieldrin. The haloform reaction, using chlorine and sodium hydroxide, is also able to generate alkyl halides from methyl ketones, and related compounds. Chloroform was formerly produced thus.Recommanded Product: Ethyl 3-(2,6-Dichloro-5-fluoro-3-pyridyl)-3-oxopropionate

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

3-Substituted thiophenes. III. Antihistaminics of the N-3-thenylethylenediamine series was written by Campaigne, E.;LeSuer, William M.. And the article was included in Journal of the American Chemical Society in 1949.Reference of 36157-41-2 This article mentions the following:

2-Chloro-3-methylthiophene (I) (66 g.) in 150 ml. CCl₄, treated with 88.5 g. (CH₂CO)₂NBr (II) and 1 g. Bz₂O₂ and refluxed 8 hrs., gives 75% 2-chloro-3-thenyl bromide, b₁ 88°, n²²_D 1.6119; the hexamethylenetetramine salt (m. 165°, 84%) on distillation with steam yields 25% 2-chloro-3-thenaldehyde, b_1-2 100-2°, m. 25°, n²⁰_D 1.5908 (2,4-dinitrophenylhydrazone, orange, m. 214°); oxidation with Ag₂O in ether gives 75% 2-chloro-3-thenoic acid, m. 163°. 2-Bromo-3-methylthiophene with II yields 65% 2-bromo-3-thenyl bromide, b₇ 113°, n²⁰_D 1.6241; the hexamethylenetetramine salt (m. 171-2°, 75%) on steam distillation yields 15% 2-bromo-3-thenaldehyde, m. 34° (2,4-dinitrophenylhydrazone, orange, m. 230.5°); 2-bromo-3-thenoic acid m. 178-9°, 78%. 3-Methylthiophene (296 g.), added (3 hrs.) to 810 g. SO₂Cl₂ (total refluxing 5 hrs.), gives 8% I and 63% 2,5-di-Cl derivative (III), b₁₁ 65°, n²⁰_D 1.5560. III and II give 69% 2,5-dichloro-3-thenyl bromide, b₄ 104.5-6°, n²⁰_D 1.6177; the hexamethylenetetramine salt [m. 178-80° (decomposition), 90%] yields a crude aldehyde, which gives 11.4% 2,5-dichloro-3-thenoic acid, m. 146.5-7.5°. NaNH₂ (3.12 g.) in 50 ml. PhMe, treated dropwise with 12 g. 2-(dimethylaminoethylamino)pyridine, refluxed 2 hrs., treated dropwise at 50° with 21 g. 3-thenyl bromide, refluxed 2 hrs., poured into 150 ml. H₂O, the PhMe layer extracted with 5% HCl, and the HCl layer saturated with K₂CO₃ and extracted with ether, gives 31.4% 2-[3-thenyl-(2-dimethylaminoethyl)amino]pyridine (IV), yellow, m. 169-72°, n²⁰_D 1.5915. (Halo-3-thenyl) derivatives of IV: 2-Cl b₁ 156-8°, n²⁰_D 1.5950, 28%; 2-Br b₁ 177-9°, n²⁰_D 1.6590, 20%; 2,5-di-Cl b₁ 179-81°, n²⁰_D 1.5968, 38%. IV (106 g.) in 500 ml. iso-PrOH and 34 ml. concentrated HCl give 86% of the HCl salt, m. 169.5-70°. In the experiment, the researchers used many compounds, for example, 2,5-Dichlorothiophene-3-carboxylic acid (cas: 36157-41-2Reference of 36157-41-2).

2,5-Dichlorothiophene-3-carboxylic acid (cas: 36157-41-2) belongs to organic chlorides. Organochlorines are organic compounds having multiple chlorine atoms. They were the first synthetic pesticides that were used in agriculture. They are resistant to most microbial and chemical degradations. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Reference of 36157-41-2

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Effect of Cassia auriculata (C.auriculate) leaves extract for the bio synthesis of Ag NPs and its investigation of antioxidant activity was written by Nawaz, M. Prem;Mohamed, S. Raja;Palanivelu, M.;Rafi, K. Mohamed;Ayeshamariam, A.. And the article was included in Journal of Bionanoscience in 2018.Quality Control of 1-Chlorooctadecane This article mentions the following:

On the basis of phytochem. tests on the different extracts of the powd. form of the whole plant parts of Cassia auriculata it is investigated that the plant has a number of phytochem. constituents like alkaloids, carbohydrates, tannins, phenols, gums and mucilage, fixed oils and fats, saponins, proteins, volatile oils, flavonoids and steroids. Cassia auriculata leaves extract acts as reducing agent to prepare silver NPs, the source materials are silver nitrate, by using biosynthesis Ag NPs were prepared Reduced silver NPs are having the size of nearly 59 nm, XRD anal. explains the structural studies of the prepared NPs, UV-Vis studies interferes the absorbance values of NPs. Quant. phytochem. anal. of Cassia auriculata and antioxidant activity results was discussed. In the experiment, the researchers used many compounds, for example, 1-Chlorooctadecane (cas: 3386-33-2Quality Control of 1-Chlorooctadecane).

1-Chlorooctadecane (cas: 3386-33-2) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. Organochlorine compounds are lipophylic, meaning they are more soluble in fat than in water. This gives them a high tenancy to accumulate in the food chain (biomagnification).Quality Control of 1-Chlorooctadecane

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Facile Synthesis, Crystal Structure, DFT Calculation and Biological Activities of 4-(2-fluorophenyl)-3-(3-methoxybenzyl)-1H-1,2,4-triazol-5 (4H)-one (5) was written by Saleem, Muhammad;Rafiq, Muhammad;Jeong, Yeon Ki;Cho, Dae Won;Kim, Chong-Hyeak;Seo, Sung-Yum;Choi, Chang-Shik;Hong, Seong-Karp;Lee, Ki Hwan. And the article was included in Medicinal Chemistry (Sharjah, United Arab Emirates) in 2018.Reference of 6834-42-0 This article mentions the following:

The synthesis, characterization and exploration of biol. profile of 4-(2-fluorophenyl)-3-(3-methoxybenzyl)-1H-1,2,4-triazole-5(4H)-one I was reported. The tautomeric interconversion of the compound I was observed by the single crystal XRD and DFT anal. N-(2-fluorophenyl)-2-[2-(3-methoxyphenyl)acetyl]hydrazine carboxamide was synthesized by the condensation of 2-(3-methoxyphenyl)acetohydrazide with 1-fluoro-2-isocyanatobenzene. The dehydrocyclization of N-(2-fluorophenyl)-2-[2-(3-methoxyphenyl)acetyl]hydrazine carboxamide yielded target compound I by refluxing in 2 N aqueous sodium hydroxide solutions The target compound I was characterized by FTIR, ¹H-NMR, ¹³C-NMR, single crystal X-ray diffraction anal. and DFT calculation The enzymic assay measurements were carried out by using a microplate reader (OPTI Max, Tunable Microplate Reader; Wavelength range: 340-850nm; for 96-well plates) while DFT calculation was performed by Gaussian 09 package. The XRD result and DFT calculations showed that compound I predominantly existed in thione conformation and crystallized in the triclinic system of P-1 space group. Furthermore, for the practical applicability of synthesized compound I, the in-vitro acetylcholinesterase as well as α-glucosidase inhibition activities were performed and found moderate enzyme inhibition potential comparable with that of reference inhibitors. This study was helpful for future design and development of potent enzyme inhibitor to control Alzheimer’s as well as diabetic disease. The DFT and single crystal XRD anal. data was helpful for understanding the mechanism of drug binding and its mode of action. In the experiment, the researchers used many compounds, for example, 2-(3-Methoxyphenyl)acetyl chloride (cas: 6834-42-0Reference of 6834-42-0).

2-(3-Methoxyphenyl)acetyl chloride (cas: 6834-42-0) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.Reference of 6834-42-0

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Crucial importance of length of fatty-acyl chains bound to the sn-2 position of phosphatidylglycerol for growth and photosynthesis of Synechocystis sp. PCC 6803 was written by Endo, Kaichiro;Abe, Masato;Kawanishi, Nobumasa;Jimbo, Haruhiko;Kobayashi, Koichi;Suzuki, Tomoko;Nagata, Noriko;Miyoshi, Hideto;Wada, Hajime. And the article was included in Biochimica et Biophysica Acta, Molecular and Cell Biology of Lipids in 2022.Product Details of 76-83-5 This article mentions the following:

Phosphatidylglycerol (PG) in thylakoid membrane is essential for growth and photosynthesis of photosynthetic organisms. Although the sn-2 position of PG in thylakoid membrane is exclusively esterified with C16 fatty acids, the functional importance of the C16 fatty-acyl chains at the sn-2 position has not been clarified. In this study, we chem. synthesized non-metabolizable PG mols.: we introduced linoleic acid (18:2, fatty acid containing 18 carbons with 2 double bonds) and one of the saturated fatty acids with different chain length (12:0, 14:0, 16:0, 18:0 and 20:0) by ether linkage to the sn-1 and sn-2 positions, resp. With the synthesized ether-linked PG mols., we checked whether they could complement the growth and photosynthesis of pgsA mutant cells of Synechocystis sp. PCC 6803 to understand the importance of length of fatty chains at the sn-2 position of PG. The pgsA mutant is incapable of synthesizing PG, so it requires exogenous PG added to medium for growth. The growth rate and photosynthetic activity of mutant cells depended on the length of fatty chains: the PG mol. species binding 16:0 most effectively complemented the growth and photosynthesis of mutant cells, and other PG mol. species with fatty chains shorter or longer than 16:0 were less effective; especially, those binding 12:0 inhibited the growth and photosynthetic activity of the mutant cells. These data demonstrate that length of fatty chains bound to the sn-2 position of PG is critical for PG performance in growth and photosynthesis. In the experiment, the researchers used many compounds, for example, (Chloromethanetriyl)tribenzene (cas: 76-83-5Product Details of 76-83-5).

(Chloromethanetriyl)tribenzene (cas: 76-83-5) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. The haloform reaction, using chlorine and sodium hydroxide, is also able to generate alkyl halides from methyl ketones, and related compounds. Chloroform was formerly produced thus.Product Details of 76-83-5

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

A proposal for a new in vitro method for direct classification of eye irritants by cytotoxicity test – Preliminary study was written by Krakowian, Daniel;Gadarowska, Dominika;Daniel-Wojcik, Anna;Mrzyk, Inga. And the article was included in Toxicology Letters in 2021.Computed Properties of C13H9Cl3N2O This article mentions the following:

None of the in vitro method are suitable for directly classifying of a substance as an eye irritant (category 2). They can classify substance as category 1 (serious eye damage) or as “no category” (not requiring classification). The aim of this study was to develop a new method for direct classification of a substance as category 2. Cytotoxicity Assay to Assess Eye Irritation (CEI) was performed on fibroblast – HDFn cell line with 36 substances. 5 concentrations of all substances and neat substances were applied directly to the cells. After 30 min, medium was added and cells were incubated at 37°C. The next day, the cytotoxicity assay was performed (MTT assay in the first run and NRU assay in the second run). Based on viability and IC50 value (concentration with 50% viability) a substance could be classified in category 2, category 1, and as “no category”. The results obtained were referred to ECHA database. This new method had high sensitivity (53.8-88.9%), specificity (73.9-100.0%) and accuracy (69.4-88.9%) in the classification to all categories. It effectively classifies not only substances in category 2 but also in category 1 and substances that do not require classification. In the experiment, the researchers used many compounds, for example, 1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)urea (cas: 101-20-2Computed Properties of C13H9Cl3N2O).

1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)urea (cas: 101-20-2) belongs to organic chlorides. An organic chloride is an organic compound containing at least one covalently bonded atom of chlorine. Their wide structural variety and divergent chemical properties lead to a broad range of names and applications. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.Computed Properties of C13H9Cl3N2O

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Synthesis and biological investigations of 3β-aminotropane arylamide derivatives with atypical antipsychotic profile was written by Stefanowicz, Jacek;Slowinski, Tomasz;Wrobel, Martyna Z.;Slifirski, Grzegorz;Dawidowski, Maciej;Stefanowicz, Zdzislawa;Jastrzebska-Wiesek, Magdalena;Partyka, Anna;Wesolowska, Anna;Turlo, Jadwiga. And the article was included in Medicinal Chemistry Research in 2018.Quality Control of 1-(Chloromethyl)-3-methylbenzene This article mentions the following:

This work is a continuation of our previous research, concentrating this time on lead structure modification to increase the 5-HT_1A receptor affinity and water solubility of designed compounds Therefore, the compounds synthesized within the present project included structural analogs of 3β-acylamine derivatives of tropane with the introduction of a Me substituent in the benzyl ring and a 2-quinoline, 3-quinoline, or 6-quinoline moiety. A series of novel 3β-aminotropane derivatives was evaluated for their affinity for 5-HT_1A, 5-HT_2A, and D₂ receptors, which allowed for the identification of compounds I, II, and III as ligands with highest affinity for the tested receptors; they were then subjected to further evaluation in preliminary in vivo studies. Selected compounds II and III displayed antipsychotic properties in the d-amphetamine-induced and MK-801-induced hyperlocomotor activity test in mice. Moreover, compound III showed significant antidepressant-like activity in the forced swim test in mice. In the experiment, the researchers used many compounds, for example, 1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9Quality Control of 1-(Chloromethyl)-3-methylbenzene).

1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9) belongs to organic chlorides. Chlorination modifies the physical properties of hydrocarbons in several ways. These compounds are typically denser than water due to the higher atomic weight of chlorine versus hydrogen.While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available. Alkyl chlorides readily undergo attack by nucleophiles.Quality Control of 1-(Chloromethyl)-3-methylbenzene

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

A series of carbonyl, olefin, alkyne, hydrido, and vinyl iridium complexes containing bulky bifunctional phosphines iPr₂PCH₂X as ligands was written by Steinert, Paul;Werner, Helmut. And the article was included in Chemische Berichte/Recueil in 1997.Product Details of 39722-81-1 This article mentions the following:

Etheneiridium(I) complexes trans-[IrCl(C₂H₄)L₂] [L = iPr₂PCH₂CO₂Me, iPr₂PCH₂CO₂Et, iPr₂P(CH₂)₃NMe₂] were prepared either from [IrClL₂] or [IrCl(C₂H₄)₂]₂ as starting materials. The corresponding carbonyl derivatives trans-[IrCl(CO)L₂] were obtained along similar routes. Photolysis of trans-[IrCl(C₂H₄)L₂] (L = iPr₂PCH₂CO₂Me, iPr₂PCH₂CO₂Et) leads, by intramol. C-H activation, to the formation of octahedral [IrHCl(CH:CH₂)(κ-L)(κ²-L)], which are highly fluxional in solution The crystal structure of [IrHCl(CH:CH₂)(κ-L)(κ²-L)] (L = iPr₂PCH₂CO₂Me) is reported. Carbonyl hydrido vinyl complexes are accessible either from [IrHCl(CH:CH₂)(κ-L)(κ²-L)] and CO, or from trans-[IrCl(C₂H₄)L₂] (L = iPr₂PCH₂CO₂Me) and HCCCHPhOH, resp. Treatment of [IrClL₂] or the corresponding dihydrido compound [IrH₂ClL₂] with CH₂:CHCOMe or CH₂:CHCO₂Me also yields Ir(III) complexes [IrHCl(CH:CHX)L₂] (X = COMe, CO₂Me), in which instead of the CO function of the phosphinyl ester the CO group of the vinylic moiety is coordinated to the metal. The reaction of [IrHCl(CH:CH₂)(κ-L)(κ²-L)] (L = iPr₂PCH₂CO₂Me) with HCCR (R = Ph, CO₂Me) affords the structurally related alkynyl hydrido Ir(III) compounds [IrHCl(CCR)(κ-L)(κ²-L)], while from [IrHCl(CH:CH₂)(κ-L)(κ²-L)] (L = iPr₂PCH₂CO₂Me) and internal alkynes RCCR the Ir(I) complexes trans-[IrCl(RCCR)L₂] (R = Ph, CO₂Me) were obtained. Stepwise treatment of trans-[IrCl(CO)L₂] (L = iPr₂PCH₂CO₂Me) with NaN(SiMe₃)₂, H₂O, and HCl leads, in the coordination sphere of the metal center, to a conversion of iPr₂PCH₂CO₂Me to iPr₂PCH₂CO₂H via the isolated phosphinyl enolate and phosphinyl acetate complexes as intermediates. In the experiment, the researchers used many compounds, for example, Chlorobis(ethylene)iridium(I) dimer (cas: 39722-81-1Product Details of 39722-81-1).

Chlorobis(ethylene)iridium(I) dimer (cas: 39722-81-1) belongs to organic chlorides. Chlorinated organic compounds are found in nearly every class of biomolecules and natural products including alkaloids, terpenes, amino acids, flavonoids, steroids, and fatty acids.While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available. Alkyl chlorides readily undergo attack by nucleophiles.Product Details of 39722-81-1

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Electrochemical treatment of chemical oxygen demand in produced water using flow-by porous graphite electrode was written by Abdel-Salam, Omar E.;Abou Taleb, Enas M.;Afify, Ahmed A.. And the article was included in Water and Environment Journal in 2018.Electric Literature of C18H37Cl This article mentions the following:

Produced water is the largest wastewater stream generated in the oil and gas industries. In this study, experiments were carried out using a bench-scale electrochem. cell using flow-by porous graphite electrode, for oxidation of organic matter in produced water which was collected from natural gas processing field (real sample). The effect of anodic c.d. and influent feed flow rate on COD (COD) removal efficiency, and energy consumption were investigated. The maximum removal efficiency of 66.52% was obtained for a flow rate of 50 mL/min, c.d. of 1.41 mA/cm² and pH of 7.3 for an influent COD of 2845 mg O₂/L. The energy consumption at these conditions was 2.12 kWh/kg_COD. In the experiment, the researchers used many compounds, for example, 1-Chlorooctadecane (cas: 3386-33-2Electric Literature of C18H37Cl).

1-Chlorooctadecane (cas: 3386-33-2) belongs to organic chlorides. Organochlorines are organic compounds having multiple chlorine atoms. They were the first synthetic pesticides that were used in agriculture. They are resistant to most microbial and chemical degradations. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.Electric Literature of C18H37Cl

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics