188978-32-7

Basic information

• Product Name: (4R,5S,6S,7R)-4,7-Dibenzyl-5,6-bis-(2-methoxy-ethoxymethoxy)-1,3-bis-[3-(2,2,2-trifluoro-acetyl)-benzyl]-[1,3]diazepan-2-one
• Synonyms: (4R,5S,6S,7R)-4,7-Dibenzyl-5,6-bis-(2-methoxy-ethoxymethoxy)-1,3-bis-[3-(2,2,2-trifluoro-acetyl)-benzyl]-[1,3]diazepan-2-one
• CAS NO: 188978-32-7
• Molecular Weight: 874.875
• Mol File: 188978-32-7.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (4R,5S,6S,7R)-4,7-Dibenzyl-5,6-bis-(2-methoxy-ethoxymethoxy)-1,3-bis-[3-(2,2,2-trifluoro-acetyl)-benzyl]-[1,3]diazepan-2-one(CAS DataBase Reference)
• NIST Chemistry Reference: (4R,5S,6S,7R)-4,7-Dibenzyl-5,6-bis-(2-methoxy-ethoxymethoxy)-1,3-bis-[3-(2,2,2-trifluoro-acetyl)-benzyl]-[1,3]diazepan-2-one(188978-32-7)
• EPA Substance Registry System: (4R,5S,6S,7R)-4,7-Dibenzyl-5,6-bis-(2-methoxy-ethoxymethoxy)-1,3-bis-[3-(2,2,2-trifluoro-acetyl)-benzyl]-[1,3]diazepan-2-one(188978-32-7)

Safety Data

• Hazardous Substances Data: 188978-32-7(Hazardous Substances Data)

Upstream product

• 153181-25-0 (4R,5S,6S,7R)-hexahydro-5,6-bis(2-methoxyethoxymethoxy)-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-one 
• 49617-83-6 m-Iodobenzyl bromide 
• 1547-87-1 N,N-dimethyl-2,2,2-trifluoroacetamide 
• 188978-69-0 (4R,5S,6S,7R)-4,7-Dibenzyl-1,3-bis-(3-iodo-benzyl)-5,6-bis-(2-methoxy-ethoxymethoxy)-[1,3]diazepan-2-one 

Relevant articles and documents

Cyclic HIV protease inhibitors: Design and synthesis of orally bioavailable, pyrazole P2/P2' cyclic ureas with improved potency

Highly potent HIV-1 protease (HIVPR) inhibitors have been designed and synthesized by introducing bidentate hydrogen-bonding oxime and pyrazole groups at the meta-position of the phenyl ring on the P2/P2' substituents of cyclic ureas. Nonsymmetrical cyclic ureas incorporating 3(1H)-pyrazolylbenzyl as P2 and hydrophilic functionalities as P2' show potent protease inhibition and antiviral activities against HIV and have good oral bioavailabilities. The X-ray structure of HIVPR-10A complex confirms that the two pyrazole rings of 10A form bidentate hydrogen bonds with the side-chain oxygen (C=O) and backbone nitrogen (N-H) of Asp30/30' of HIVPR.