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VAS2870

CAT: 0127-BUP06023-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP06023-04Size:50 mg
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CAS Number
722456-31-7
Purity
=95%
Smiles
C(c1ccccc1)n1nnc2c(Sc3nc4ccccc4o3)ncnc12

Chemical Information

Vas-2870

VAS2870 is a member of the class of triazolopyrimidines that is 3H-[1,2,3]triazolo[4,5-d]pyrimidine substituted by benzyl and (1,3-benzoxazol-2-yl)sulfanediyl groups at positions 3 and 7, respectively. It is a pan-NADPH oxidase inhibitor. It has a role as an EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor, a platelet aggregation inhibitor and a neuroprotective agent. It is a member of benzenes, an aryl sulfide, a member of triazolopyrimidines and a member of 1,3-benzoxazoles.

CAS Number722456-31-7
PubChem CID4058452
IUPAC Name2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-1,3-benzoxazole
Molecular FormulaC18H12N6OS
Molecular Weight360.4
XLogP3.9
Topological Polar Surface Area108
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity479
SMILES
C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)SC4=NC5=CC=CC=C5O4)N=N2
InChI
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
InChIKey
HZSOKHVVANONPV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Vas-2870
CAS: 722456-31-7
CID: 4058452
Formula: C18H12N6OS
MW: 360.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.4
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass360.07933020
Monoisotopic Mass360.07933020
Topological Polar Surface Area108 Ų
Heavy Atom Count26
Formal Charge0
Complexity479
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
M17580-01VAS2870
HY-12804R-01VAS2870 (Standard)

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