479232-57-0

Basic information

• Product Name: (2S)-N-[[4-[(4,10-dihydro-1-methylpyrazolo[3,4-b][1,5]benzodiazepin-5(1H)-yl)carbonyl]-2-methylphenyl]methyl]-2-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)thioxomethyl]-1-pyrrolidinecarboxamide
• CAS NO: 479232-57-0
• Molecular Weight: 600.788
• Mol File: 479232-57-0.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: (2S)-N-[[4-[(4,10-dihydro-1-methylpyrazolo[3,4-b][1,5]benzodiazepin-5(1H)-yl)carbonyl]-2-methylphenyl]methyl]-2-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)thioxomethyl]-1-pyrrolidinecarboxamide(CAS DataBase Reference)
• NIST Chemistry Reference: (2S)-N-[[4-[(4,10-dihydro-1-methylpyrazolo[3,4-b][1,5]benzodiazepin-5(1H)-yl)carbonyl]-2-methylphenyl]methyl]-2-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)thioxomethyl]-1-pyrrolidinecarboxamide(479232-57-0)
• EPA Substance Registry System: (2S)-N-[[4-[(4,10-dihydro-1-methylpyrazolo[3,4-b][1,5]benzodiazepin-5(1H)-yl)carbonyl]-2-methylphenyl]methyl]-2-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)thioxomethyl]-1-pyrrolidinecarboxamide(479232-57-0)

Safety Data

• Hazardous Substances Data: 479232-57-0(Hazardous Substances Data)

Usage

Uses

TC OT 39 is a non-peptide oxytocin agonist.

Upstream product

• 479234-51-0 4-(1-benzyloxycarbonyl-pyrrolidine-2-carbonyl)-[1,4]diazepane-1-carboxylic acid tert-butyl ester 
• 479234-53-2 4-(1-benzyloxycarbonyl-pyrrolidine-2-carbothioyl)-[1,4]diazepane-1-carboxylic acid tert-butyl ester 
• 479234-55-4 benzyl (S)-2-(4-methyl-1,4-diazepane-1-carbonothioyl)pyrrolidine-1-carboxylate 
• 479234-62-3 2-methyl-4-(1-methyl-1,3a,4,5,10,10a-hexahydrobenzo[b]-pyrazolo[3,4-e][1,4]diazepine-5-carbonyl)benzonitrile 
• 479234-83-8 1-methyl-1,4,5,10-tetrahydrobenzo[b]pyrazolo[3,4-e][1,4]diazepine 
• 1160759-52-3 4-cyano-3-methylbenzoyl chloride 
• 1148-11-4 N-Benzyloxycarbonyl-L-proline 
• 74772-07-9 ethyl 1-methyl-5-<(2-nitrophenyl)amino>-pyrazole-4-carboxylate 
• 112275-50-0 tert-butyl 1,4-diazepine-1-carboxylate 
• 87295-97-4 5,10-diidro-1-metilpirazolo<3,4-b><1,5>benzodiazepin-4(1H)-one 
• 749226-94-6 5-(2-amino-phenylamino)-1-methyl-1H pyrazole-4-carboxylic acid ethyl ester 
• 1493-27-2 ortho-nitrofluorobenzene 
• 73831-13-7 4-cyano-3-methylbenzoic acid 
• 67832-11-5 4-bromo-2-methylbenzonitrile 

Relevant articles and documents

Subtlety of the Structure-Affinity and Structure-Efficacy Relationships around a Nonpeptide Oxytocin Receptor Agonist

Very few nonpeptide oxytocin agonists have currently been reported, and none of them seem suitable for the in vivo investigation of the oxytocin mediated functions. In an attempt to rationalize the design of better tools, we have systematically studied the structural determinants of the affinity and efficacy of representative ligands of the V1a, V2, and OT receptor subtypes. Despite apparently obvious similarity between the ligand structures on one hand, and between the receptor subtypes on the other hand, the binding affinity and the functional activity profiles of truncated and hybrid ligands highlight the subtlety of ligand-receptor interactions for obtaining nonpeptide OT receptor agonists.