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AZ3976

CAT: 0931-T23764-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T23764-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1418747-15-5
Target
PAI-1
Related Pathways
Metabolism
Purity
0.9814
Bioactivity
AZ3976 is an inhibitor of PAI-1 with an IC50 of 16 μM in a plasma clot lysis assay. AZ3976 displays profibrinolytic activities.
Smiles
O=C1C=2C(NC(NC3CN(C(OC(C)(C)C)=O)C3)=N1)=NC=CC2
Molecular Formula
C15H19N5O3
Molecular Weight
317.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tert-Butyl 3-[(4-Oxo-3h-Pyrido[2,3-D]pyrimidin-2-Yl)amino]azetidine-1-Carboxylate
CAS Number1418747-15-5
PubChem CID135566649
IUPAC Nametert-butyl 3-[(4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)amino]azetidine-1-carboxylate
Molecular FormulaC15H19N5O3
Molecular Weight317.34
XLogP0.5
Topological Polar Surface Area95.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity522
SMILES
CC(C)(C)OC(=O)N1CC(C1)NC2=NC3=C(C=CC=N3)C(=O)N2
InChI
InChI=1S/C15H19N5O3/c1-15(2,3)23-14(22)20-7-9(8-20)17-13-18-11-10(12(21)19-13)5-4-6-16-11/h4-6,9H,7-8H2,1-3H3,(H2,16,17,18,19,21)
InChIKey
CKUDSTVQYFRZJW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tert-Butyl 3-[(4-Oxo-3h-Pyrido[2,3-D]pyrimidin-2-Yl)amino]azetidine-1-Carboxylate
CAS: 1418747-15-5
CID: 135566649
Formula: C15H19N5O3
MW: 317.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight317.34
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass317.14878949
Monoisotopic Mass317.14878949
Topological Polar Surface Area95.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity522
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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