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SNS 032

CAT: 0926-FS16408-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-FS16408-03Size:25 mg
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CAS Number
345627-80-7
Synonyms
N-[5-[ (5-tert-Butyl-1,3-oxazol-2-yl) methylsulfanyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide; BMS 387032
MDL Number
MFCD09833875
Smiles
CC (C) (C) C1=CN=C (O1) CSC2=CN=C (S2) NC (=O) C3CCNCC3
Molecular Formula
C17H24N4O2S2
Molecular Weight
380.53 g/mol
Controlled
No

Chemical Information

N-(5-(((5-(1,1-Dimethylethyl)-2-oxazolyl)methyl)thio)-2-thiazolyl)-4-piperidinecarboxamide

N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)piperidine-4-carboxamide is a secondary carboxamide resulting from the formal condensation of the carboxy group of piperidine-4-carboxylic acid with the amino group of 5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-amine. It is an ATP-competitive inhibitor of CDK2, CDK7 and CDK9 kinases and exhibits anti-cancer properties. It has a role as an antineoplastic agent, an angiogenesis inhibitor, an apoptosis inducer and an EC 2.7.11.22 (cyclin-dependent kinase) inhibitor. It is a secondary carboxamide, an organic sulfide, a member of 1,3-thiazoles, a member of 1,3-oxazoles and a piperidinecarboxamide.

CAS Number345627-80-7
PubChem CID3025986
IUPAC NameN-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
Molecular FormulaC17H24N4O2S2
Molecular Weight380.5
XLogP3
Topological Polar Surface Area134
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity454
SMILES
CC(C)(C)C1=CN=C(O1)CSC2=CN=C(S2)NC(=O)C3CCNCC3
InChI
InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22)
InChIKey
OUSFTKFNBAZUKL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(5-(((5-(1,1-Dimethylethyl)-2-oxazolyl)methyl)thio)-2-thiazolyl)-4-piperidinecarboxamide
CAS: 345627-80-7
CID: 3025986
Formula: C17H24N4O2S2
MW: 380.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.5
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass380.13406837
Monoisotopic Mass380.13406837
Topological Polar Surface Area134 Ų
Heavy Atom Count25
Formal Charge0
Complexity454
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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