1065113-62-3

Basic information

• Product Name: benzyl 2-benzyl-4-chloro-8,9-dihydro-5H-pyriMido[4,5-d]azepine-7(6H)-carboxylate
• Synonyms: benzyl 2-benzyl-4-chloro-8,9-dihydro-5H-pyriMido[4,5-d]azepine-7(6H)-carboxylate;4-Chloro-5,6,8,9-tetrahydro-2-(phenylmethyl)-7H-pyrimido[4,5-d]azepine-7-carboxylic acid phenylmethyl ester;benzyl 2-benzyl-4-chloro-5,6,8,9-tetrahydro-7H-pyrimido[4,5-d]azepine-7-carboxylate
• CAS NO: 1065113-62-3
• Molecular Formula: C₂₃H₂₂ClN₃O₂
• Molecular Weight: 408
• Mol File: 1065113-62-3.mol
• Article Data: 3

Chemical Properties

• Appearance: /
• Density: 1.269
• CAS DataBase Reference: benzyl 2-benzyl-4-chloro-8,9-dihydro-5H-pyriMido[4,5-d]azepine-7(6H)-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: benzyl 2-benzyl-4-chloro-8,9-dihydro-5H-pyriMido[4,5-d]azepine-7(6H)-carboxylate(1065113-62-3)
• EPA Substance Registry System: benzyl 2-benzyl-4-chloro-8,9-dihydro-5H-pyriMido[4,5-d]azepine-7(6H)-carboxylate(1065113-62-3)

Safety Data

• Hazardous Substances Data: 1065113-62-3(Hazardous Substances Data)

Upstream product

• 1065113-59-8 benzyl 2-benzyl-4-oxo-5,6,8,9-tetrahydro-7H-pyrimido[4,5-d]azepine-7-carboxylate 
• 19099-93-5 benzyl 4-oxo-1-piperidinecarboxylate 
• 31696-09-0 1-benzyl 4-ethyl 5-oxoazepane-1,4-dicarboxylate 
• 2498-46-6 2-phenylacetamidine hydrochloride 

Downstream Products

• 1065110-62-4 AMG-167 
• 1065111-00-3 2-benzyl-4-methoxy-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine 
• 1613666-19-5 C₂₄H₂₅N₃O₃ 
• 1065110-64-6 2-benzyl-4-imidazol-1-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine 

Relevant articles and documents

Multiparameter optimization in CNS drug discovery: Design of pyrimido[4,5-d]azepines as potent 5-hydroxytryptamine 2C (5-HT2C) receptor agonists with exquisite functional selectivity over 5-HT2A and 5-HT2B receptors

A series of 4-substituted pyrimido[4,5-d]azepines that are potent, selective 5-HT2C receptor partial agonists is described. A rational medicinal chemistry design strategy to deliver CNS penetration coupled with SAR-based optimization of selectivity and agonist potency provided compounds with the desired balance of preclinical properties. Lead compounds 17 (PF-4479745) and 18 (PF-4522654) displayed robust pharmacology in a preclinical canine model of stress urinary incontinence (SUI) and no measurable functional agonism at the key selectivity targets 5-HT2A and 5-HT2B in relevant tissue-based assay systems. Utilizing recent advances in the structural biology of GPCRs, homology modeling has been carried out to rationalize binding and agonist efficacy of these compounds.

PYRIMIDO [4, 5-D] AZEPINE DERIVATIVES AS 5-HT2C AGONISTS

The present invention relates to compounds of formula (I): wherein R1, R2, R3a,R3b, R3c, R3d and R100 are as defined in the specification. These compounds act as 5-HT2C agonists.