Author: Jessica.F

Benzothiazoles exhibit broad-spectrum antitumor activity: Their potency, structure-activity and structure-metabolism relationships was written by Xie, Xilei;Yan, Yu;Zhu, Ning;Liu, Gang. And the article was included in European Journal of Medicinal Chemistry in 2014.Application of 1711-11-1 This article mentions the following:

An antitumor activity oriented benzothiazole sublibrary was constructed from a hit compound I via a five stepwise procedure. All target compounds were screened for their antitumor activity against 60 human cancer cell lines. Compounds II, III and IV, showing higher potency than hit I, were identified. Particularly, the compound II gave its average 50% growth inhibition (GIC₅₀) at 0.38 μM. Furthermore, incubation in human liver microsome primarily proved their metabolic stability in vitro. General structure-activity and structure-metabolism relationships were both summarized, which provides information on further strategically optimization. In the experiment, the researchers used many compounds, for example, 3-Cyanobenzoyl chloride (cas: 1711-11-1Application of 1711-11-1).

3-Cyanobenzoyl chloride (cas: 1711-11-1) belongs to organic chlorides. Organic chlorides can cause corrosion in pipelines, valves and condensers, and cause catalyst poisoning. The hydrocarbon processing industry (HPI) and others are affected by damage caused by these substances. Alkyl chlorides are versatile building blocks in organic chemistry. While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available.Application of 1711-11-1

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

¹⁷O NMR study of ortho and alkyl substituent effects in substituted phenyl and alkyl esters of benzoic acids was written by Nummert, Vilve;Maemets, Vahur;Piirsalu, Mare;Vahur, Signe;Koppel, Ilmar A.. And the article was included in Collection of Czechoslovak Chemical Communications in 2011.Reference of 5335-05-7 This article mentions the following:

¹⁷O NMR spectra for 44 ortho-, meta- and para-substituted Ph and alkyl benzoates (C₆H₅CO₂C₆H₄-X, C₆H₅CO₂R) at natural abundance in acetonitrile were recorded. Substituent effects on the ¹⁷O NMR chem. shifts, δ(¹⁷O), of the carbonyl oxygen and the single-bonded phenoxy (OPh) and alkoxy (OR) oxygens have been studied. The δ(¹⁷O) values of the carbonyl oxygen for para derivatives showed a good correlation with the σ° constants The δ(¹⁷O) values of carbonyl oxygen for ortho derivatives were found to be described well with the Charton equation containing the inductive, σ_I, resonance, σ°_R, and steric, E_s^B, substituent constants in case the data treatment was performed sep. for electron-donating +R and electron-attracting -R substituents. The electron-donating +R ortho and para substituents in substituted benzoates caused shielding and the electron-withdrawing -R substituents produced deshielding of the O signal. The steric interaction of ortho substituents with the ester group decreased the electron d. at the carbonyl oxygen. In alkyl benzoates the δ(¹⁷O) values were found to be described well with the inductive, σ_I, and the steric, E_s^B, substituent constants In the experiment, the researchers used many compounds, for example, Chloromethyl benzoate (cas: 5335-05-7Reference of 5335-05-7).

Chloromethyl benzoate (cas: 5335-05-7) belongs to organic chlorides. Organic chlorides can cause corrosion in pipelines, valves and condensers, and cause catalyst poisoning. The hydrocarbon processing industry (HPI) and others are affected by damage caused by these substances. Alkyl chlorides readily react with amines to give substituted amines. Alkyl chlorides are substituted by softer halides such as the iodide in the Finkelstein reaction.Reference of 5335-05-7

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

Synthesis, Crystal Structure, Anti-inflammatory and Anti-hyperglycemic Activities of Novel 3,4-Disubstituted 1,2,4-Triazol-5(4H)-one Derivatives was written by Saleem, Muhammad;Yu, Seon-Mi;Rafiq, Muhammad;Kim, Song-Ja;Seo, Sung-Yum;Lee, Ki Hwan. And the article was included in Medicinal Chemistry (Sharjah, United Arab Emirates) in 2014.Computed Properties of C9H9ClO2 This article mentions the following:

A new series of 3,4-disubstituted 1,2,4-triazol-5(4H)-ones I (n = 0, 1; X = 2-F, 4-F, 2-OMe, etc; Y = 3-Me, 2-OMe, 3,4-(OMe)₂, etc.) was synthesized by the dehydrocyclization of hydrazinecarboxamides by refluxing in a 2N sodium hydroxide solution Hydrazinecarboxamides were synthesized via condensation of the corresponding aralkanoic acid hydrazides, with fluoro-, tolyl- and methoxyphenylisocyanates. The structure of compound I (n = 1; X, Y = 2-F) was determined by single crystal X-ray diffraction anal. The final compounds were screened for their anti-inflammatory and anti-diabetic (α-glucosidase and α-amylase inhibition) activity to identify new drugs that might be useful in preventing damage related to diabetes and inflammation. Compounds I (n = 1; X = 3-OMe, 4-OMe, 3,4-(OMe)₂; Y = 3-F, 2-F) decrease the expression of type II collagen in a dose dependent manner; similarly I (n = 1; X = 4-MeO; Y = 3F) decrease the COX-2 expression of rabbit articular chondrocytes in a dose dependent manner possessing potent anti-inflammatory potential while some of derivatives including I (X = 4-F, 2-OMe; Y = 3,4-(OMe)₂ 2-F, 4-F)cause inflammation. Meanwhile, excellent α-glucosidase and moderate α-amylase inhibitory profiles against carbohydrate modulating enzymes were demonstrated by compounds I (n = 0, 1; X = 2-F, 2-OMe, 4-OMe; Y = 3-Me, 3-F, 2-F,) compared to the reference standard acarbose, while some exhibited moderate to low enzyme inhibition potential. In the experiment, the researchers used many compounds, for example, 2-(3-Methoxyphenyl)acetyl chloride (cas: 6834-42-0Computed Properties of C9H9ClO2).

2-(3-Methoxyphenyl)acetyl chloride (cas: 6834-42-0) 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. 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 C9H9ClO2

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

Monosaccharide derivatives: synthesis, antimicrobial, pass, antiviral and molecular docking studies against SARS-CoV-2 Mpro inhibitors was written by Yasmin, Farhana;Amin, Mohammed R.;Hosen, Mohammed A.;Bulbul, Mohammed Z. H.;Dey, Sujan;Kawsar, Sarkar M. A.. And the article was included in Cellulose Chemistry and Technology in 2021.Related Products of 76-83-5 This article mentions the following:

Several carbohydrate-based drugs are currently being used to treat a number of diseases in humans worldwide. Thus, our research group has focused on the synthesis of new Me α-D-mannopyranoside (MDM) derivatives and their antimicrobial evaluation through computational studies. A series of MDM derivatives (2-6) were synthesized through facile regioselective acylation, using the direct method affording 6-O-(3-chlorobenzoyl) derivatives This isolated 6-O-derivative was further transformed to 2,3,4-tri-O-acyl derivatives, bearing a wide variety of functionalities in a single mol. framework. The structures of the newly designed mols. were elucidated with the aid of IR, ¹H NMR, mass spectroscopy, and elemental anal. The prediction of the activity spectra for the compounds (PASS) and their in vitro antimicrobial evaluation were performed, demonstrating them to be potential antimicrobial agents. The antimicrobial tests demonstrated that the compounds 3 and 5 were the most potent with the min. inhibitory concentration (MIC) values, ranging from 0.312 ± 0.01 to 1.25 ± 0.03 mg/mL, and min. bactericidal concentration (MBC) values, ranging from 0.625 ± 0.02 to 2.50 ± 0.05 mg/mL. A quantum chem. study was performed to calculate the thermodn., MO and electrostatic potential properties of the designed compounds Mol. docking simulation was carried out against SARS-CoV-2 Mpro protein 7BQY and 6Y84 to investigate their binding energy and binding tactics with the viral protein, and better binding affinity than that of the parent drug was observed Also, pharmacokinetic prediction revealed an improved drug-likeness profile for all MDM derivatives In the experiment, the researchers used many compounds, for example, (Chloromethanetriyl)tribenzene (cas: 76-83-5Related Products of 76-83-5).

(Chloromethanetriyl)tribenzene (cas: 76-83-5) 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.Related Products of 76-83-5

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

An efficient silver tetrafluoroborate-catalyzed cycloisomerization of ynamides was written by Ieawsuwan, Winai;Ruchirawat, Somsak. And the article was included in Heterocycles in 2019.Synthetic Route of C11H14ClNO2 This article mentions the following:

A silver catalyzed-cycloisomerization of N-Boc protected ynamides was developed under mild reaction conditions to provide a wide range of oxazolones I [R¹ = (CH₂)₈OTIPS, Ph, 4-FC₆H₄, etc.; R² = Ph, 4-ClC₆H₄, (CH₂)₂Ph, etc.] in good to excellent yields. Moreover, the acid-promoted Pictet-Spengler cyclization of oxazolones I was described to furnish the corresponding trans-oxazolidones II [R³ = H, OMe; R⁴ = R⁵ = OMe] in moderate yields. In the experiment, the researchers used many compounds, for example, tert-Butyl (4-chlorophenyl)carbamate (cas: 18437-66-6Synthetic Route of C11H14ClNO2).

tert-Butyl (4-chlorophenyl)carbamate (cas: 18437-66-6) 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. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Synthetic Route of C11H14ClNO2

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

Palladium-Catalyzed Three-Component Diaryl Sulfone Synthesis Exploiting the Sulfur Dioxide Surrogate DABSO was written by Emmett, Edward J.;Hayter, Barry R.;Willis, Michael C.. And the article was included in Angewandte Chemie, International Edition in 2013.COA of Formula: C8H8BrCl This article mentions the following:

The authors report on a three-component convergent synthesis of aryl, heteroaryl, and alkenyl sulfones employing palladium catalysis and DABSO. DABSO is a solid bench-stable complex formed between DABCO and two sulfur dioxide mols. and is an easy-to-handle surrogate for sulfur dioxide gas. E.g., reaction of 3-MeC₆H₄Br with tert-butyllithium, followed by DABSO, and then with 2-bromonaphthalene in presence of Pd(OAc)₂, ligand I, and Cs₂CO₃ gave 88% sulfone derivative (II). In the experiment, the researchers used many compounds, for example, 5-Bromo-2-chloro-m-xylene (cas: 206559-40-2COA of Formula: C8H8BrCl).

5-Bromo-2-chloro-m-xylene (cas: 206559-40-2) 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. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.COA of Formula: C8H8BrCl

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

Synthesis of 6-alkyloxy-3,4-dihydro-2(1H)-quinolinones and their anticonvulsant activities was written by Quan, Zhe-Shan;Wang, Jun-Min;Rho, Jung-Rae;Kwak, Kyung-Chell;Kang, Hee-Cheol;Jun, Chang-Soo;Chai, Kyu-Yun. And the article was included in Bulletin of the Korean Chemical Society in 2005.Application of 697-73-4 This article mentions the following:

A series of 6-alkyloxy-3,4-dihydro-2(1H)-quinolinones were synthesized through nitration, reduction, diazotization, hydrolysis, and alkylation from 3,4-dihydro-2(1H)-quinolinone. Their structures were characterized by IR, ¹H-NMR, and MS. The anticonvulsant activity was evaluated by the maximal electroshock test (MES) and the s.c. pentylenetetrazole (metrazole) test (scMet). The neurotoxicity was measured by the rotarod test (Tox). The result showed that 6-hexyloxy-3,4-dihydro-2(1H)-quinolinone was potent in anti-MES and anti-scMet test with ED₅₀ of 24.0 and 21.2 mg/kg, resp., albeit its TD₅₀ (67.6 mg/kg) revealed the high neurotoxicity. 6-Benzyloxy-3,4-dihydro-2(1H)-quinolinone was less effective against MES-induced seizure with ED₅₀ of 29.6 mg/kg, but no neurotoxicity was observed even <300 mg/kg. Its protective index (PI) was >10 preferable to phenytoin, carbamazepin, phenobarbital, and valproate. In the experiment, the researchers used many compounds, for example, 2-(Chloromethyl)-1,3-difluorobenzene (cas: 697-73-4Application of 697-73-4).

2-(Chloromethyl)-1,3-difluorobenzene (cas: 697-73-4) 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. 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).Application of 697-73-4

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

Preparations of carboxylic acid esters containing heptafluoroisopropyl groups was written by Suyama, T.;Kato, S.;Mizutani, Y.. And the article was included in Journal of Fluorine Chemistry in 1992.Reference of 57045-82-6 This article mentions the following:

The reaction of fluoroglyoxylic acid esters and fluoroformic acid esters with perfluoropropene yielded perfluoro(3-methyl-2-oxobutyric) acid esters and perfluoroisobutyric acid esters, resp. Oxamide derivatives and 2,3-quinoxalinediol have been prepared by the reaction of perfluoro(3-methyl-2-oxobutyric) acid esters with amines and o-phenylenediamine, resp. Perfluoro(3-methyl-2-oxobutyric) acid esters give perfluoroisobutyric acid esters on heating in the presence of fluoride ion in an aprotic solvent. In the experiment, the researchers used many compounds, for example, Chloroformicacidn-nonylester (cas: 57045-82-6Reference of 57045-82-6).

Chloroformicacidn-nonylester (cas: 57045-82-6) 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. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.Reference of 57045-82-6

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

NMR Analysis of a Series of 6,14-Ethenomorphinan Derivatives as PET Precursors and Reference Substances was written by Marton, Janos;Sipos, Attila;Henriksen, Gjermund;Cumming, Paul;Berenyi, Sandor;Schmitt, Bettina M.;Szabo, Zoltan. And the article was included in ChemistrySelect in 2021.Safety of (Chloromethanetriyl)tribenzene This article mentions the following:

The new semisynthetic oripavine derivative 3-O-trityl-6-O-desmethyl-dihydroetorphine was synthesized from the poppy alkaloid thebaine in a six-step procedure. This compound can be applied as precursor for the radiosynthesis of [6-O-methyl-¹¹C]-dihydroetorphine ([¹¹C]DHE) I. A detailed description of ¹H and ¹³C NMR data of reference standards and precursors for [6-O-methyl-¹¹C]- and [6-O-(2-[¹⁸F]fluoroethyl)]orvinols was presented. This includes the complete assignment for 19 oripavine derivatives, e.g., I examined in 1D and 2D NMR experiments The mol. basis for regioselectivity of fluoroalkylation of 3-O-trityl-6-O-desmethyl-phenethyl-orvinol (TDPEO) using computational methods was also investigated. In the experiment, the researchers used many compounds, for example, (Chloromethanetriyl)tribenzene (cas: 76-83-5Safety of (Chloromethanetriyl)tribenzene).

(Chloromethanetriyl)tribenzene (cas: 76-83-5) 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. 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).Safety of (Chloromethanetriyl)tribenzene

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

2-Pyridyl and 3-pyridylzinc bromides: direct preparation and coupling reaction was written by Kim, Seung-Hoi;Rieke, Reuben D.. And the article was included in Tetrahedron in 2010.Synthetic Route of C8H4ClNO This article mentions the following:

A facile synthetic approach to the direct preparation of 2-pyridyl and 3-pyridylzinc bromides I (X = CH₂, N; Y = N, CH₂) has been demonstrated using Rieke zinc with 2-bromopyridine and 3-bromopyridine, resp. A variety of different electrophiles have been coupled with the resulting organozinc reagents to give the corresponding cross-coupling products in moderate to good yields. In the experiment, the researchers used many compounds, for example, 3-Cyanobenzoyl chloride (cas: 1711-11-1Synthetic Route of C8H4ClNO).

3-Cyanobenzoyl chloride (cas: 1711-11-1) 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. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.Synthetic Route of C8H4ClNO

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