189275-62-5

• 

• Basic information

  1. Product Name: XN974
  2. Synonyms: XN974
  3. CAS NO:189275-62-5
  4. Molecular Formula: C39H38N6O3
  5. Molecular Weight: 638.75742
  6. EINECS: N/A
  7. Product Categories: N/A
  8. Mol File: 189275-62-5.mol
  9. Article Data: 1

• Chemical Properties

  1. Melting Point: N/A
  2. Boiling Point: 918.1°Cat760mmHg
  3. Flash Point: 509°C
  4. Appearance: /
  5. Density: 1.32g/cm³
  6. Vapor Pressure: 0mmHg at 25°C
  7. Refractive Index: 1.687
  8. Storage Temp.: N/A
  9. Solubility: N/A
  10. CAS DataBase Reference: XN974(CAS DataBase Reference)
  11. NIST Chemistry Reference: XN974(189275-62-5)
  12. EPA Substance Registry System: XN974(189275-62-5)

• Safety Data

  1. Hazard Codes: N/A
  2. Statements: N/A
  3. Safety Statements: N/A
  4. WGK Germany:
  5. RTECS:
  6. HazardClass: N/A
  7. PackingGroup: N/A
  8. Hazardous Substances Data: 189275-62-5(Hazardous Substances Data)

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189275-62-5 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 189275-62-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,8,9,2,7 and 5 respectively; the second part has 2 digits, 6 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 189275-62:
(8*1)+(7*8)+(6*9)+(5*2)+(4*7)+(3*5)+(2*6)+(1*2)=185
185 % 10 = 5
So 189275-62-5 is a valid CAS Registry Number.

InChI:InChI=1/C39H38N6O3/c46-37-35(19-27-9-3-1-4-10-27)44(25-29-13-7-15-31(17-29)33-21-40-41-22-33)39(48)45(36(38(37)47)20-28-11-5-2-6-12-28)26-30-14-8-16-32(18-30)34-23-42-43-24-34/h1-18,21-24,35-38,46-47H,19-20,25-26H2,(H,40,41)(H,42,43)/t35-,36-,37+,38+/m1/s1

189275-62-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name	(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[[3-(1H-pyrazol-4-yl)phenyl]methyl]-1,3-diazepan-2-one

1.2 Other means of identification

Product number	-
Other names	-

1.3 Recommended use of the chemical and restrictions on use

Identified uses	For industry use only.
Uses advised against	no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number	-
Service hours	Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:189275-62-5 SDS

189275-62-5Upstream product

• 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 
• 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 

189275-62-5Downstream Products

189275-62-5Relevant articles and documents

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

Han, Qi,Chang, Chong-Hwan,Li, Renhua,Ru, Yu,Jadhav, Prabhakar K.,Lam, Patrick Y. S.

, p. 2019 - 2028 (1998)

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.

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