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VAS 3947

CAT: 0931-T29097-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T29097-07Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
869853-70-3
Target
NADPH-oxidase, NADPH, Apoptosis
Related Pathways
Apoptosis, Metabolism, Immunology/Inflammation
Purity
0.9925
Bioactivity
VAS 3947 is a specific inhibitor of NADPH oxidase (NOX) .VAS 3947 has a potent anti-platelet effect, inducing apoptosis through UPR activation, mainly due to protein aggregation and misfolding, independent of anti-NOX activity.
Smiles
C(c1ccccc1)n1nnc2c(Sc3ncco3)ncnc12
Molecular Formula
C14H10N6OS
Molecular Weight
310.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-Benzyl-7-(2-oxazolyl)thio-1,2,3-triazolo(4,5-d)pyrimidine

structure in first source

CAS Number869853-70-3
PubChem CID7471335
IUPAC Name2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-1,3-oxazole
Molecular FormulaC14H10N6OS
Molecular Weight310.34
XLogP2.5
Topological Polar Surface Area108
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity369
SMILES
C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)SC4=NC=CO4)N=N2
InChI
InChI=1S/C14H10N6OS/c1-2-4-10(5-3-1)8-20-12-11(18-19-20)13(17-9-16-12)22-14-15-6-7-21-14/h1-7,9H,8H2
InChIKey
JVZDLDFNSCFLPM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Benzyl-7-(2-oxazolyl)thio-1,2,3-triazolo(4,5-d)pyrimidine
CAS: 869853-70-3
CID: 7471335
Formula: C14H10N6OS
MW: 310.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight310.34
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass310.06368014
Monoisotopic Mass310.06368014
Topological Polar Surface Area108 Ų
Heavy Atom Count22
Formal Charge0
Complexity369
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

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CatalogName
UJB85370-01VAS 3947

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