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ASP-6537

CAT: 1410-M14855-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M14855-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ASP-6537 (ASP6537) is a novel potent, selective, reversible cyclooxygenase-1 (COX-1) inhibitor with IC50 of 4.9 nM.
CAS Number
524699-72-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
311.341
Molecular Formula
C17H17N3O3
Notes
Research use only, not for human use.
Receptor
COX

Chemical Information

Asp-6537
CAS Number524699-72-7
PubChem CID9922739
IUPAC Name3-methoxy-1,5-bis(4-methoxyphenyl)-1,2,4-triazole
Molecular FormulaC17H17N3O3
Molecular Weight311.33
XLogP3.6
Topological Polar Surface Area58.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity355
SMILES
COC1=CC=C(C=C1)C2=NC(=NN2C3=CC=C(C=C3)OC)OC
InChI
InChI=1S/C17H17N3O3/c1-21-14-8-4-12(5-9-14)16-18-17(23-3)19-20(16)13-6-10-15(22-2)11-7-13/h4-11H,1-3H3
InChIKey
OBAICMYWONZOSZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Asp-6537
CAS: 524699-72-7
CID: 9922739
Formula: C17H17N3O3
MW: 311.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight311.33
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass311.12699141
Monoisotopic Mass311.12699141
Topological Polar Surface Area58.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity355
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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