DELDEPREVIR SODIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C45H55F2N6O8S2.Na
Molecular Weight	933.07
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[H][C@@]12C[C@]1(NC(=O)[C@]3([H])C[C@H](CN3C(=O)[C@@H](CC(=O)N4CCCC(F)(F)C4)CCCCCC=C2)OC5=CC(=NC6=C(C)C(OC)=CC=C56)C7=NC(=CS7)C(C)C)C(=O)[N-]S(=O)(=O)C8CC8

InChI

InChIKey=KLBYIWFUEHNOSA-ACPQSSBHSA-M

InChI=1S/C45H56F2N6O8S2.Na/c1-26(2)34-24-62-41(49-34)33-21-37(32-15-16-36(60-4)27(3)39(32)48-33)61-30-20-35-40(55)50-45(43(57)51-63(58,59)31-13-14-31)22-29(45)12-9-7-5-6-8-11-28(42(56)53(35)23-30)19-38(54)52-18-10-17-44(46,47)25-52;/h9,12,15-16,21,24,26,28-31,35H,5-8,10-11,13-14,17-20,22-23,25H2,1-4H3,(H2,50,51,55,57);/q;+1/p-1/b12-9-;/t28-,29-,30-,35+,45-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C45H56F2N6O8S2
Molecular Weight	911.088
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.sciencedirect.com/science/article/abs/pii/S0168827813608491 | https://www.ncbi.nlm.nih.gov/pubmed/24735613 | https://adisinsight.springer.com/drugs/800034265

Deldeprevir (Neceprevir) is a direct-acting anti-HCV drug developed by Achillion. Deldeprevir acts by inhibition of the viral NS3/4A protease. In phase 1b clinical trial for the treatment of chronic HCV infection, the drug was safe and well-tolerated and produced more than a 3 log10 mean maximum reduction in plasma HCV RNA levels in all treated groups. Despite positive results, no development of the drug was reported by Achillion since 2014.

Originator

Approval Year

PubMed

Title	Date	PubMed

Substance Class	Chemical Created by `admin` on `Sat Dec 16 02:17:25 GMT 2023` Edited by `admin` on `Sat Dec 16 02:17:25 GMT 2023`
Record UNII	89B8ZLI72B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DELDEPREVIR SODIUM

Official Name

English

ACH-2684 SODIUM

Code

English

Deldeprevir sodium [WHO-DD]

Common Name

English

DELDEPREVIR SODIUM [USAN]

Common Name

English

ACH-2684.NA

Code

English

ACH-0142684.NA

Code

English

NECEPREVIR SODIUM

Common Name

English

ACH-0142684 SODIUM

Code

English

Code System Code Type Description

PUBCHEM

56956252