VAS-2870

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H12N6OS
Molecular Weight	360.392
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C(N1N=NC2=C(SC3=NC4=C(O3)C=CC=C4)N=CN=C12)C5=CC=CC=C5

InChI

InChIKey=HZSOKHVVANONPV-UHFFFAOYSA-N

InChI=1S/C18H12N6OS/c1-2-6-12(7-3-1)10-24-16-15(22-23-24)17(20-11-19-16)26-18-21-13-8-4-5-9-14(13)25-18/h1-9,11H,10H2

HIDE SMILES / InChI

Molecular Formula	C18H12N6OS
Molecular Weight	360.392
Charge	0
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
NADPH oxidase complex 1 Target ID: GO:0043020 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22406319	Inhibitor 8504

PubMed

Title	Date	PubMed
Off-target thiol alkylation by the NADPH oxidase inhibitor 3-benzyl-7-(2-benzoxazolyl)thio-1,2,3-triazolo[4,5-d]pyrimidine (VAS2870).	2012-05-01	22406319

Substance Class	Chemical Created by `admin` on `Wed Apr 02 06:18:02 GMT 2025` Edited by `admin` on `Wed Apr 02 06:18:02 GMT 2025`
Record UNII	BN6QHA4JW4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VAS-2870

Code

English

VAS2870

Preferred Name

English

3H-1,2,3-Triazolo[4,5-d]pyrimidine, 7-(2-benzoxazolylthio)-3-(phenylmethyl)-

Systematic Name

English

7-(2-Benzoxazolylthio)-3-(phenylmethyl)-3H-1,2,3-triazolo[4,5-d]pyrimidine

Systematic Name

English

Code System Code Type Description

PUBCHEM

4058452

Created by admin on Wed Apr 02 06:18:02 GMT 2025 , Edited by admin on Wed Apr 02 06:18:02 GMT 2025

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CAS

722456-31-7

Created by admin on Wed Apr 02 06:18:02 GMT 2025 , Edited by admin on Wed Apr 02 06:18:02 GMT 2025

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FDA UNII

BN6QHA4JW4

Created by admin on Wed Apr 02 06:18:02 GMT 2025 , Edited by admin on Wed Apr 02 06:18:02 GMT 2025

PRIMARY

Related Record Type Details


					BN6QHA4JW4

VAS-2870

ACTIVE MOIETY

Amount: