Tag: 100-200

Synthesis, XRD, Hirshfeld surface analysis, DFT studies, cytotoxicity and anticancer activity of di(m-chlorobenzyl) (dichloro) (4, 7-diphenyl-1,10-phenanthroline) tin (IV) complex was written by Bhaskar, C.;Elangovan, N.;Sowrirajan, S.;Chandrasekar, S.;Ali, Ola A. Abu;Mahmoud, Samy F.;Thomas, Renjith. And the article was included in Journal of Molecular Structure in 2022.Related Products of 620-19-9 This article mentions the following:

The complex di(m-chlorobenzyl) (dichloro) (4, 7-diphenyl-1,10-phenanthroline) tin (IV) complex (B2) was synthesized and characterized by FT-IR, FT-Raman, ¹H NMR, ¹³C NMR, ¹¹⁹Sn NMR, and XRD. The above-synthesized complex compared with the theor. method using Gaussian software at DFT/B3LYP/Lanl2DZ. Wavefunctiona based properties like ELF and LOL helped to identify the electron distributions. X-ray study confirmed that compound crystallizes in monoclinic space group with P2₁/c,. The crystal structure of the B2 shows a regular octahedral geometry. Hydrogen bond formation is observed through chlorine anion via C-H-Cl. The complex showed excellent cytotoxicity and anticancer activity against Vero and Hela cell line when compared to the standard drug cisplatin. In the experiment, the researchers used many compounds, for example, 1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9Related Products of 620-19-9).

1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9) 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.Related Products of 620-19-9

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

Synthesis of derivatives of cyclobuteno[c]thiophene. Attempts to synthesize thiophene analogs of biphenylene was written by Ayres, B. E.;Longworth, S. W.;McOmie, J. F. W.. And the article was included in Tetrahedron in 1975.Reference of 36157-41-2 This article mentions the following:

The thiophenes I (R = R1 = I, CO2H, CH2OH, CH2Br, Me, CHBr2, CHO, CHCl2, CN, R2 = Cl) were prepared from I (R = R1 = H, R2 = Cl) by standard methods. I (R = R1 = CHO, R2 = Cl) reacted with PBr5 to give I (R = CHBr2, R1 = CHO, R2 = Cl; R = R1 = CHBr2, R2 = Cl, Br); the latter 2 compounds reacted with NaI to give the corresponding cis- and trans-dibromocyclobutathiophenes II. Reaction of trans-II (R2 = Cl) with N-bromosuccinimide resulted in bond fission and regeneration of I (R = R1 = CHBr2, R2 = Cl). I (R = R1 = I, R2 = Cl) reacted with BuLi and Me2SO4 to give I (R = R1 = Me, R2 = Cl) and the bis(thiophenindigo) III. 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. 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. 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.Reference of 36157-41-2

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

Synthesis and biological evaluation of isatin derivatives containing 1,3,4-thiadiazole as potent a-glucosidase inhibitors was written by Zhao, Xuelian;Zhan, Xuehui;Zhang, Huilin;Wan, Yichao;Yang, Huizhong;Wang, Yutian;Chen, Yanda;Xie, Wenlin. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2021.Electric Literature of C8H9Cl This article mentions the following:

A series of isatin derivatives containing 1,3,4-thiadiazole derivatives I [R = 2-F, 3-CN, 4-Cl, etc.] were designed and synthesized. All newly synthesized compounds I were evaluated for their α-glucosidase inhibitory activity with resveratrol as pos. control in-vitro. Except for compounds I [R = 2-CN, 3-CN], all of the compounds I showed a potent inhibitory activity against α-glucosidase with IC₅₀ values in the range of 3.12 ± 1.25 to 45.95 ± 1.26μM and the purity of these compounds were greater than 95%. The IC₅₀ values were being compared to the standard resveratrol (IC₅₀ = 22.00 ± 1.15μM) and it was found that compounds I [R = H, 2-F, 2-Cl, 3-Cl, 4-Cl, 2-Br] were found to be more active than resveratrol. Specifically,I [R = 4-Cl] exhibited the most potent α-glucosidase inhibitory activity with IC₅₀ value of 3.12 ± 1.25μM. The kinetic anal. revealed that compound I [R = 4-Cl] was noncompetitive inhibitor. Structure activity relationship was established for all compounds I. Furthermore, the binding interactions of compound I [R = 4-Cl] with the active site of α-glucosidase were confirmed through mol. docking. This study was identified a new class of potent α-glucosidase inhibitors for further investigation. In the experiment, the researchers used many compounds, for example, 1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9Electric Literature of C8H9Cl).

1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9) 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.Electric Literature of C8H9Cl

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

Synthesis and molecular modeling of MetAP2 of thiosemicarbazides, 1,2,4-triazoles, thioethers derived from (S)-Naproxen as possible breast cancer agents was written by Birgul, Kaan;Uba, Abdullah Ibrahim;Cuhadar, Ozan;Sevinc, Sevgi Kocyigit;Tiryaki, Selen;Tiber, Pinar Mega;Orun, Oya;Telci, Dilek;Yilmaz, Ozgur;Yelekci, Kemal;Guniz Kucukguzel, S.. And the article was included in Journal of Molecular Structure in 2022.Recommanded Product: 1-(Chloromethyl)-3-methylbenzene This article mentions the following:

New thiosemicarbazides, 1,2,4-triazoles and thioethers I (R¹ = Ph, 4-FC₆H₄, Bn, etc.; R² = Bn, 3-FC₆H₄CH₂, 4-MeOC₆H₄CH₂, etc.) from derived (S)-Naproxen were synthesized in this study. The mol. binding of the compounds on MetAP-2 was performed. Anticancer effects of the synthesized compounds were studied by using MTT assay method on MCF-7 (includes estrogen and progesterone receptors) and MDA-MB-231 (lacks estrogen and progesterone receptors) adenocarcinoma cell lines at 0, 10, 25, 50, 75 and 100μM concentrations for 24 h. The IC₅₀ values of novel (S)-Naproxen derivatives were determined between from 5 to 100μM on MCF-7 breast cancer cell line and MDA-MB-231 cell lines. The apoptotic activity of selected compounds I (R¹ = 4-ClC₆H₄; R² = 3-FC₆H₄CH₂) and I (R¹ = Ph; R² = 4-MeC₆H₄CH₂) were first analyzed by Annexin V staining using Tali Image-Based Cytometer. Mitochondrial membrane potential changes determined in fluorescence plate reader following JC-1 stain for compounds I (R¹ = 4-ClC₆H₄; R² = 3-FC₆H₄CH₂) and I (R¹ = Ph; R² = 4-MeC₆H₄CH₂) in MCF-7 and MDA-MB-231 cells. The effect of these compounds on the cell viability 4T1 mouse mammary tumor cell line was tested at 1 to 5 times of calculated IC₅₀ value (IC₅₀x1, IC₅₀x2, IC₅₀x3, IC₅₀x4, and IC₅₀x5). Next in order to determine the toxicity of the combination of compound I (R¹ = Bn; R² = 3-FC₆H₄CH₂) and Docetaxel, WST-1 cell viability and proliferation assay was performed with 4T1. In the experiment, the researchers used many compounds, for example, 1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9Recommanded Product: 1-(Chloromethyl)-3-methylbenzene).

1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9) 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.Recommanded Product: 1-(Chloromethyl)-3-methylbenzene

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

Identification of Potent Ebola Virus Entry Inhibitors with Suitable Properties for in Vivo Studies was written by Liu, Hu;Tian, Ye;Lee, Kyungae;Krishnan, Pranav;Wang, May Kwang-Mei;Whelan, Sean;Mevers, Emily;Soloveva, Veronica;Dedic, Benjamin;Liu, Xinyong;Cunningham, James M.. And the article was included in Journal of Medicinal Chemistry in 2018.Recommanded Product: 165047-23-4 This article mentions the following:

Previous studies identified an adamantane dipeptide piperazine 3.47 that inhibits Ebola virus (EBOV) infection by targeting the essential receptor Niemann-Pick C1 (NPC1). The physicochem. properties of 3.47 limit its potential for testing in vivo. Optimization by improving potency, reducing hydrophobicity, and replacing labile moieties identified 3.47 derivatives with improved in vitro ADME properties that are also highly active against EBOV infection, including when tested in the presence of 50% normal human serum (NHS). In addition, 3A4 was identified as the major cytochrome P 450 isoform that metabolizes these compounds, and accordingly, mouse microsome stability was significantly improved when tested in the presence of the CYP3A4 inhibitor ritonavir that is approved for clin. use as a booster of anti-HIV drugs. Oral administration of the EBOV inhibitors with ritonavir resulted in a pharmacokinetic profile that supports a b.i.d. dosing regimen for efficacy studies in mice. In the experiment, the researchers used many compounds, for example, 2-Chloro-4,5-difluorobenzaldehyde (cas: 165047-23-4Recommanded Product: 165047-23-4).

2-Chloro-4,5-difluorobenzaldehyde (cas: 165047-23-4) 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. 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.Recommanded Product: 165047-23-4

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

Synthesis and pharmacological characterization of 2-(4-chloro-3-hydroxyphenyl)ethylamine and N,N-dialkyl derivatives as dopamine receptor ligands was written by Claudi, Francesco;Giorgioni, Gianfabio;Di Stefano, Antonio;Abbracchio, Maria Pia;Paoletti, Anna Maria;Balduini, Walter. And the article was included in Journal of Medicinal Chemistry in 1992.HPLC of Formula: 6834-42-0 This article mentions the following:

2-(4-Chloro-3-hydroxyphenyl)ethylamine (I) and some derivatives were synthesized as dopamine (DA) receptor ligands. Amine I retains the dopaminergic pharmacophore 2-(3-hydroxyphenyl)ethylamine, and the chlorine atom replaces the “para” hydroxyl group of DA. 4,3-Cl(HO)C₆H₃CH₂CH₂NRPr (II, R = Pr, PhCH₂CH₂, 3-MeOC₆H₄CH₂CH₂, 4-MeOC₆H₄CH₂CH₂, 4-MeOC₆H₄CH₂CH₂CH₂) were obtained by introducing on the nitrogen of amine I the n-Pr and 2-phenylethyl or 3-phenylpropyl groups which can be accommodated by the D-2 receptor lipophilic sites 3C and π₃, resp. The affinity and selectivity of these compounds for D-1 and D-2 subtypes was determined in radioligand competition assays for the DA receptors of rat striatum membranes using [³H]SCH 23390 (D-1 selective) and [³H]spiperone (D-2 selective) as radioligands. I shows about 7-fold lower affinity than DA for both sites and is not able to discriminate between the two subtypes of DA receptors. The introduction of two n-Pr groups on the nitrogen atom in II (R = Pr) reduces by one-half and doubles the affinity for D-1 and D-2 binding sites, resp. The substitution of an n-Pr group with different alkylphenyl groups, to give the remaining II, increases the affinity for the D-2 subtype from 19-fold to 36-fold. These compounds have the same affinity at the D-2 site as the DA agonist N-propyl-N-(2-phenylethyl)-2-(3-hydroxyphenyl)ethylamine (III) and are about 20 times more selective than DA for this binding site. In the assay for D-2 receptor mediated inhibition of adenylate cyclase activity, all the tested compounds behaved as D-2 agonists, N-propyl-N-[2(4-hydroxyphenyl)ethylamine was more effective than DA or III. On the other hand, all compounds were less effective than DA in stimulation of adenylate cyclase activity in rat striatal homogenates, a kind of effect which is mediated by the D-1 subtype of DA receptors. These results suggest that the nitrogen substitution enhances the affinity and selectivity for the D-2 receptor. In the adenylate cyclase assay, the compounds behave as potent D-2 agonists. In the experiment, the researchers used many compounds, for example, 2-(3-Methoxyphenyl)acetyl chloride (cas: 6834-42-0HPLC of Formula: 6834-42-0).

2-(3-Methoxyphenyl)acetyl chloride (cas: 6834-42-0) 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. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.HPLC of Formula: 6834-42-0

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

Heterobiaryl and heterobiaryl ether derived M₅ positive allosteric modulators was written by Bridges, Thomas M.;Kennedy, J. Phillip;Hopkins, Corey R.;Conn, P. Jeffrey;Lindsley, Craig W.. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2010.SDS of cas: 697-73-4 This article mentions the following:

This Letter describes a chem. lead optimization campaign directed at VU0238429, the first M₅-preferring pos. allosteric modulator (PAM), discovered through analog work around VU0119498, a pan G_q mAChR M₁, M₃, M₅ PAM. An iterative parallel synthesis approach was employed to incorporate basic heterocycles to improve physiochem. properties. In the experiment, the researchers used many compounds, for example, 2-(Chloromethyl)-1,3-difluorobenzene (cas: 697-73-4SDS of cas: 697-73-4).

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

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

Synthesis and Structure Activity Relationship of Tetrahydroisoquinoline-Based Potentiators of GluN2C and GluN2D Containing N-Methyl-D-aspartate Receptors [Erratum to document cited in CA159:150256] was written by Santangelo Freel, Rose M.;Ogden, Kevin K.;Strong, Katie L.;Khatri, Alpa;Chepiga, Kathryn M.;Jensen, Henrik S.;Traynelis, Stephen F.;Liotta, Dennis C.. And the article was included in Journal of Medicinal Chemistry in 2014.Name: 3-Cyanobenzoyl chloride This article mentions the following:

The description of the model shown in Figure 3 predicts the wrong stereochem. of the amine resulting from the stereoselective reduction of the imine; the corrected stereochem. is given, along with a discussion of the effects. In the experiment, the researchers used many compounds, for example, 3-Cyanobenzoyl chloride (cas: 1711-11-1Name: 3-Cyanobenzoyl chloride).

3-Cyanobenzoyl chloride (cas: 1711-11-1) belongs to organic chlorides. Organic chlorides are compounds containing a carbon-chlorine bond, which are widely used in the oil field as a wax dissolver. 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.Name: 3-Cyanobenzoyl chloride

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

Diaza-18-crown-6 ethers containing partially-fluorinated benzyl sidearms: Effects of covalently bonded fluorine on the alkali metal complexation was written by Chi, Ki-Whan;Shim, Kwang Taeg;Huh, Hwang;Lee, Uk;Park, Young Ja. And the article was included in Bulletin of the Korean Chemical Society in 2005.Name: 2-(Chloromethyl)-1,3-difluorobenzene This article mentions the following:

The stability constants for the diaza-18-crown-6 ethers (2-6) and alkali metal cations (Na⁺, K⁺, Rb⁺ and Cs⁺) were determined using potentiometry in 95% methanol. For each metal ion the stability constants of the partially-fluorinated ligands 3-6 were larger than that of the non-fluorinated ligand 2, which might reflect an interaction between fluorine atoms and alkali metal cations. The stability constant of the ligand 4 was larger than that of the ligand 5 for each metal cation tested. This finding was also supported by the results of cation-induced chem. shifts in ¹H-, ¹⁹F-NMR and extraction experiment The potentiometry and NMR results as well as the X-ray crystal structures revealed that the position and number of fluorine atoms in the benzyl side arms was crucial for the enhanced interaction between a ligand and an alkali metal. In the experiment, the researchers used many compounds, for example, 2-(Chloromethyl)-1,3-difluorobenzene (cas: 697-73-4Name: 2-(Chloromethyl)-1,3-difluorobenzene).

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. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.Name: 2-(Chloromethyl)-1,3-difluorobenzene

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

Organometallic compounds of the alkali metals. VII. Orientation in protophilic aromatic metalation by ethylsodium and ethyllithium-potassinm reagents: factors influencing the reactivity of metalating reagents was written by Bryce-Smith, D.. And the article was included in Journal of the Chemical Society in 1963.COA of Formula: C8H10ClN This article mentions the following:

An extension of previous work on the metalation of isopropyl-benzene by alkylsodiums and an EtLi-K complex is described. The isomer ratios for metalation of isopropylbenzene by EtNa are similar at 20° and 85° and very similar to those given by C₅H₁₁Na at 20°: meta-substitution predominates in each case. The total rate factors for nuclear metalation of isopropylbenzene by EtNa and an EtLi-K complex are closely similar, and show that the isopropyl group behaves as a deactivating substituent, in agreement with previous work. Little or no rearrangement appears to occur in the conditions employed, in contrast with the recently reported behavior of related Li-free systems. PhLi-K is less reactive than PhK towards PhMe and PhCl. It is suggested that metalations of the present type may occur in homogeneous spin., notwithstanding the apparent heterogeneity of the reaction systems. In the experiment, the researchers used many compounds, for example, 2-Chloro-N,N-dimethylaniline (cas: 698-01-1COA of Formula: C8H10ClN).

2-Chloro-N,N-dimethylaniline (cas: 698-01-1) 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.COA of Formula: C8H10ClN

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