Tag: M.W=200-250

Ingle, D. B.; Shingare, M. S. published the artcile< Synthesis of disulfonamides>, Electric Literature of 42413-03-6, the main research area is bactericide disulfonate preparation; sulfonamide bactericide preparation; thiazolesulfonamide benzenesulfonyl; thiophenesulfonamide benzenesulfonyl; coumarin thiophenesulfonamide benzenesulfonyl; acridine thiophenesulfonamide benzenesulfonyl; quinoline thiophenesulfonamide benzenesulfonyl.

RSO2NHSO2R1 (I; R = Ph, Cl-, Br-, Me-, NO2-, CO2H-, AcNH-substituted Ph; R1 = Ph, Cl-, Br-, NO2-, MeO-, AcNH-substituted Ph, 2-thienyl, dimethylthiazolyl, quinolyl, acetamidocoumarinyl) were prepared by amidation of R1SO2Cl with RSO2NH2. I were inactive against S. aureus, S. typhi and V. comma at 200 μg/mL.

Journal of the Indian Chemical Society published new progress about 42413-03-6. 42413-03-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H6Cl2O2S, Electric Literature of 42413-03-6.

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

Roggen, Heidi; Bohlin, Lars; Burman, Robert; Charnock, Colin; Felth, Jenny; Gorbitz, Carl Henrik; Larsson, Rolf; Tamm, Toomas; Gundersen, Lise-Lotte; IUPAC Commission published the artcile< 2-substituted agelasine analogs: synthesis and biological activity, and structure and reactivity of synthetic intermediates>, Formula: C6H4Cl2N4, the main research area is purine agelasine analog synthesis tautomerization antimicrobial activity; anticancer cytotoxicity purine agelasine analog synthesis; protozoacide activity purine agelasine analog synthesis; fungicide activity purine agelasine analog synthesis; DFT B3LYP calculation tautomer structure purine agelasine analog synthesis; hydrogen bonding purine agelasine analog synthesis; antibacterial activity purine agelasine analog synthesis; antimycobacterial activity purine agelasine analog synthesis; crystal structure purine agelasine analog synthesis.

2-Substituted N-methoxy-9-methyl-9H-purin-6-amines, such as I [R2 = H, Me, NHMe, NMe2, OEt, OMe, CF3, Cl, NO2, R7 = CH2Ph; R2 = H, Me, NHMe, NMe2, OEt, OMe, CF3, Cl, NO2, OH, R7 = geranylgeranyl], were synthesized either from their corresponding 6-chloro-9-methyl-9H-purines or 2-chloro-N-methoxy-9-methyl-9H-purin-6-amine. Great diversity in the amino/imino tautomeric ratios was observed and calculated based on 1H NMR. The tautomers were identified by 1D and 2D 1H, 13C, and 15N NMR techniques, and showed significant variation both in 13C and 15N shift values. Comparison of the tautomeric ratios with Hammett F values revealed that as the field/inductive withdrawing abilities of the 2-substituent increased, the ratio of amino:imino tautomers was shifted toward the amino tautomer. Computational chem. exposed the significance of hydrogen bonding between solvent and the compound in question to reach accurate predictions for tautomeric ratios. B3LYP/def2-TZVP d. functional theory (DFT) calculations resulted in quant. more accurate predictions than when employing the less expensive BP86 functional. N-7-Alkylation of the 2-substituted N-methoxy-9-methyl-9H-purin-6-amines showed that when the field/inductive withdrawing ability of the 2-substituent reached a certain point the reactivity drastically dropped. This correlated with the at. charges on N-7 calculated using a natural bond orbital (NBO) anal. Biol. screening of the 2-substituted agelasine geranylgeralyl analogs indicated that the introduction of a Me group in the 2-position is advantageous for antimycobacterial and antiprotozoal activity, and that an amino function may improve activity against several cancer cell lines.

Pure and Applied Chemistry published new progress about Antibacterial agents. 2382-10-7 belongs to class chlorides-buliding-blocks, and the molecular formula is C6H4Cl2N4, Formula: C6H4Cl2N4.

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

Han, Yingzhi; Sun, Yadong; Abdukader, Ablimit; Liu, Bifu; Wang, Duozhi published the artcile< PhI-Catalyzed Intramolecular Oxidative Coupling Toward Synthesis of 2-Amino-1,3,4-Thiadizoles>, Recommanded Product: 5-(3-Chlorophenyl)-1,3,4-thiadiazol-2-amine, the main research area is aminothiadiazole preparation; aldehyde thiosemicarbazide iodobenzene catalyst oxidative coupling reaction.

A highly efficient method for the synthesis of thiadiazole derivatives via intramol. oxidative coupling of thiosemicarbazide, using the in situ generated hypervalent iodine(III) reagents was developed. The protocol can be carried out smoothly and provides a variety of thiadiazole derivatives in moderate to excellent yields.

Catalysis Letters published new progress about Aldehydes Role: RCT (Reactant), RACT (Reactant or Reagent). 70057-67-9 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H6ClN3S, Recommanded Product: 5-(3-Chlorophenyl)-1,3,4-thiadiazol-2-amine.

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

Bott, R. W.; Eaborn, C.; Leyshon, K. published the artcile< Organosilicon compounds. XXVII. The reaction between trichlorosilane and 4-chlorophenylbut-1-enes>, Application of C8H8BrCl, the main research area is .

Cl3SiH react, with 4-m- and 4-p-chlorophenylbut-1-ene in the presence of chloroplatinic acid to give benzylsilicon compounds, ClC6H4CH(SiCl3)(CH2)2Me, in addition to the expected straight-chain compounds, ClC6H4(CH2)4SiCl3.

Journal of the Chemical Society published new progress about 16799-05-6. 16799-05-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H8BrCl, Application of C8H8BrCl.

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

Sarkate, Aniket P.; Shinde, Devanand B. published the artcile< Synthesis and docking studies of ethyl 4-(4-((2-(nitrooxy)ethoxy)carbonyl)phenyl)-2-substituted-6-substitutedphenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate as anti-inflammatory, analgesic and nitric oxide releasing agents>, SDS of cas: 162046-61-9, the main research area is pyrimidine derivative anti inflammatory analgesic nitric oxide.

In the present study, a series of pyrimidine derivatives (6a-6z) was synthesized and tested for its anti-inflammatory, analgesic and nitric oxide releasing activity. The main aim of this study was to develop new chem. entities as potential anti-inflammatory agents. In this article, synthesis of a series of mols. containing important pharmacophore substituted diaryl rings on 6-membered heterocycle similar to coxibs and nitric oxide releasing moiety are described. All the synthesized compounds were tested in vivo for their anti-inflammatory, analgesic studies and in vitro for their nitric oxide-releasing properties. Out of the twenty six synthesized compounds, four compounds showed significant anti-inflammatory and analgesic activity which was compared with standard All the synthesized compounds exhibited significant nitric oxide-releasing activity.

Research Journal of Pharmaceutical, Biological and Chemical Sciences published new progress about Analgesics. 162046-61-9 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H4ClF3O2, SDS of cas: 162046-61-9.

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

Wei, Zeyang; Zhang, Qi; Tang, Meng; Zhang, Siyu; Zhang, Qian published the artcile< Diversity-Oriented Synthesis of 1,2,4-Triazols, 1,3,4-Thiadiazols, and 1,3,4-Selenadiazoles from N-Tosylhydrazones>, Quality Control of 70057-67-9, the main research area is triazol thiadiazol selenadiazole preparation; tosylhydrazone tosylhydrazonoyl chloride.

The diversity-oriented synthesis of 1,2,4-triazols, 1,3,4-thiadiazols, and 1,3,4-selenadiazoles from N-tosylhydrazones was developed, and the reactions were general for a wide range of substrates, in which NH2CN, KOCN, KSCN, and KSeCN were used as odorless sources. Two different pathways were proposed, and N-tosylhydrazonoyl chlorides were formed in situ in the presence of NCS.

Organic Letters published new progress about Cyanamides Role: RCT (Reactant), RACT (Reactant or Reagent). 70057-67-9 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H6ClN3S, Quality Control of 70057-67-9.

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

Shigeno, Masanori; Hanasaka, Kazuya; Tohara, Itsuki; Izumi, Koki; Yamakoshi, Hiroyuki; Kwon, Eunsang; Nozawa-Kumada, Kanako; Kondo, Yoshinori published the artcile< Direct C-H carboxylation forming polyfunctionalized aromatic carboxylic acids by combined Bronsted bases>, COA of Formula: C8H6Cl2O2, the main research area is polyfunctionalized methyl benzoate preparation; arene carbon dioxide carboxylation Bronsted base promoted.

CO2 fixation into electron-deficient aromatic C-H bonds proceeded with the combined Bronsted bases LiO-t-Bu and LiO-t-Am/CsF/18-crown-6 (t-Am = CEtMe2) under a CO2 atmosphere to afford a variety of polyfunctionalized aromatic carboxylic acid derivatives RCO2Me [R = 2,4,6-tri-BrC6H2, 2,3-di-ClC6H3, 2-O2NC6H4, etc.].

Organic Letters published new progress about Aromatic esters Role: PRP (Properties), SPN (Synthetic Preparation), PREP (Preparation). 2905-54-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H6Cl2O2, COA of Formula: C8H6Cl2O2.

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

Liu, Hanwen; Pei, Wenchou; Tang, Zilong published the artcile< One-pot synthesis of novel 4-[(5-aryl-1,3,4-thiadiazol-2-ylamino)methyl]phenol derivatives>, HPLC of Formula: 70057-67-9, the main research area is arylthiadiazolylaminomethylphenol preparation; phenylthiadiazolamine hydroxybenzaldehyde condensation reduction.

A class of 4-[(5-aryl-1,3,4-thiadiazol-2-ylamino)methyl]phenol compounds I(R = H, 2-Cl, 3-Cl, 4-Cl, 2-Me, 3-Me, 4-Me, 2-MeO, 3-MeO, 4-MeO, 4-Br, 4-CF3) were synthesized via the nucleophilic addition reaction of 5-phenyl-1,3,4-thiadiazol-2-amine with 4-hydroxybenzaldehyde, dehydration and reduction of unsaturated double bond in one-pot. This procedure has the advantages of short reaction time and simple post treatment. The structures of the products were characterized thoroughly by NMR, IR MS techniques and elemental anal.

Youji Huaxue published new progress about Aromatic amines Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 70057-67-9 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H6ClN3S, HPLC of Formula: 70057-67-9.

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

Liang, Mary; Tarr, Tyler B.; Bravo-Altamirano, Karla; Valdomir, Guillermo; Rensch, Gabriel; Swanson, Lauren; DeStefino, Nicholas R.; Mazzarisi, Cara M.; Olszewski, Rachel A.; Wilson, Gabriela Mustata; Meriney, Stephen D.; Wipf, Peter published the artcile< Synthesis and Biological Evaluation of a Selective N- and P/Q-Type Calcium Channel Agonist>, Safety of 2,6-Dichloro-9-methyl-9H-purine, the main research area is diaminopurine preparation calcium channel agonist structure activity; roscovitine analog preparation calcium channel agonist; cyclin dependent kinase inhibitor roscovitine analog; LEMS; Lambert−Eaton myasthenic syndrome; N/P/Q-type calcium channels; cdk2; neurological autoimmune disorder; roscovitine; selective agonist.

The acute effect of the potent cyclin-dependent kinase (cdk) inhibitor (R)-roscovitine on Ca2+ channels inspired the development of structural analogs as a potential treatment for motor nerve terminal dysfunction. On the basis of a versatile chlorinated purine scaffold, we have synthesized ca. 20 derivatives, I [R1 = n-Pr, Me, CHMe2, R2 = CH2Ph, CH(Ph)2, 3-pyridinylmethyl, etc.], and characterized their N-type Ca2+ channel agonist action. I were prepared by reacting 2,6-dichloro-9H-purine with R1X/K2CO3/DMSO (X = halo), followed by reaction with R2NH2/NEt2/BuOH, which gave the 4-chloro-6-amino derivatives; the final step consisted of treating the latter compounds with (R)-2-amino-1-butanol at 170°C. Agents that showed strong agonist effects were also characterized in a kinase panel for their off-target effects. Among several novel compounds with diminished cdk activity, we identified a new lead structure with a 4-fold improved N-type Ca2+ channel agonist effect and a 22-fold decreased cdk2 activity as compared to (R)-roscovitine. This compound was selective for agonist activity on N- and P/Q-type over L-type calcium channels.

ACS Medicinal Chemistry Letters published new progress about Cyclin-dependent kinase inhibitors. 2382-10-7 belongs to class chlorides-buliding-blocks, and the molecular formula is C6H4Cl2N4, Safety of 2,6-Dichloro-9-methyl-9H-purine.

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

Lenselink, Eelke B.; Louvel, Julien; Forti, Anna F.; van Veldhoven, Jacobus P. D.; de Vries, Henk; Mulder-Krieger, Thea; McRobb, Fiona M.; Negri, Ana; Goose, Joseph; Abel, Robert; van Vlijmen, Herman W. T.; Wang, Lingle; Harder, Edward; Sherman, Woody; IJzerman, Adriaan P.; Beuming, Thijs published the artcile< Predicting Binding Affinities for GPCR Ligands Using Free-Energy Perturbation>, COA of Formula: C6H4Cl2N4, the main research area is free energy perturbation ligand preparation GPCR binding structure activity; drug discovery adenosine CXCR4 opioid receptor adrenoceptor ligand binding.

The rapid growth of structural information for G-protein-coupled receptors (GPCRs) has led to a greater understanding of their structure, function, selectivity, and ligand binding. Although novel ligands have been identified using methods such as virtual screening, computationally driven lead optimization has been possible only in isolated cases because of challenges associated with predicting binding free energies for related compounds Here, the authors provide a systematic characterization of the performance of free-energy perturbation (FEP) calculations to predict relative binding free energies of congeneric ligands binding to GPCR targets using a consistent protocol and no adjustable parameters. Using the FEP+ package, first the authors validated the protocol, which includes a full lipid bilayer and explicit solvent, by predicting the binding affinity for a total of 45 different ligands across four different GPCRs (adenosine A2AAR, β1 adrenergic, CXCR4 chemokine, and δ opioid receptors). Comparison with exptl. binding affinity measurements revealed a highly predictive ranking correlation (average spearman ρ = 0.55) and low root-mean-square error (0.80 kcal/mol). Next, the authors applied FEP+ in a prospective project, where the authors predicted the affinity of novel, potent adenosine A2A receptor (A2AR) antagonists. Four novel compounds were synthesized and tested in a radioligand displacement assay, yielding affinity values in the nanomolar range. The affinity of two out of the four novel ligands (plus three previously reported compounds) was correctly predicted (within 1 kcal/mol), including one compound with approx. a 10-fold increase in affinity compared to the starting compound Detailed analyses of the simulations underlying the predictions provided insights into the structural basis for the two cases where the affinity was overpredicted. Taken together, these results establish a protocol for systematically applying FEP+ to GPCRs and provide guidelines for identifying potent mols. in drug discovery lead optimization projects.

ACS Omega published new progress about Adenosine A2A receptors Role: BSU (Biological Study, Unclassified), PRP (Properties), BIOL (Biological Study). 2382-10-7 belongs to class chlorides-buliding-blocks, and the molecular formula is C6H4Cl2N4, COA of Formula: C6H4Cl2N4.

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