GS-9256

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C46H56ClF2N6O8PS
Molecular Weight	957.461
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(Cl)C2=NC(=CC(O[C@@H]3C[C@@H]4N(C3)C(=O)[C@H](CCCCCCC[C@@H]5C[C@]5(NC4=O)[P@](O)(=O)CC6=C(F)C=CC=C6F)NC(=O)OC7CCCC7)=C2C=C1)C8=CSC(NC(C)C)=N8

InChI

InChIKey=RFGUWOCFYCYEDM-ZOMNBDOOSA-N

InChI=1S/C46H56ClF2N6O8PS/c1-26(2)50-44-52-36(25-65-44)35-21-39(30-18-19-38(61-3)40(47)41(30)51-35)62-29-20-37-42(56)54-46(64(59,60)24-31-32(48)15-11-16-33(31)49)22-27(46)12-7-5-4-6-8-17-34(43(57)55(37)23-29)53-45(58)63-28-13-9-10-14-28/h11,15-16,18-19,21,25-29,34,37H,4-10,12-14,17,20,22-24H2,1-3H3,(H,50,52)(H,53,58)(H,54,56)(H,59,60)/t27-,29-,34+,37+,46+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C46H56ClF2N6O8PS
Molecular Weight	957.461
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/28132867 | https://www.ncbi.nlm.nih.gov/pubmed/22006408 https://www.ncbi.nlm.nih.gov/pubmed/22244938 | https://www.drugbank.ca/drugs/DB12876

GS-9256 is an NS3 protease inhibitor with antiviral activity against hepatitis c virus infection. Phase 2 studies have tested the antiviral activity and safety in patients with chronic hepatitis c virus infection for GS-9256 alone and in combination with Ribavirin.

Originator

Approval Year

PubMed

Title	Date	PubMed
Discovery of GS-9256: a novel phosphinic acid derived inhibitor of the hepatitis C virus NS3/4A protease with potent clinical activity.	2012 Feb 1	22244938

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:32:12 GMT 2023` Edited by `admin` on `Sat Dec 16 05:32:12 GMT 2023`
Record UNII	8V42Y78HRU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GS-9256

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID70142946