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PHA-793887

CAT: 1568-C07838-5mgSize: 5 mgDry Ice: YesHazardous: No
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CAT#:1568-C07838-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
718630-59-2
Target
CDK
Applications
Cell Cycle
Smiles
CC (C) CC (=O) NC1=NNC2=C1CN (C2 (C) C) C (=O) C3CCN (CC3) C
Molecular Formula
C19H31N5O2
Additionnal Information
PHA-793887 is a novel and potent inhibitor of CDK2, CDK5 and CDK7 with IC50 of 8 nM, 5 nM and 10 nM. It is greater than 6-fold more selective for CDK2, 5, and 7 than CDK1, 4, and 9. PHA-793887 induces cell-cycle arrest and apoptosis. Phase 1.
Storage Conditions
2 years -80 in solvent

Chemical Information

Pha-793887

N-[6,6-dimethyl-5-[(1-methyl-4-piperidinyl)-oxomethyl]-1,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-methylbutanamide is a piperidinecarboxamide.

CAS Number718630-59-2
PubChem CID46191454
IUPAC NameN-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-methylbutanamide
Molecular FormulaC19H31N5O2
Molecular Weight361.5
XLogP1
Topological Polar Surface Area81.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity542
SMILES
CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C
InChI
InChI=1S/C19H31N5O2/c1-12(2)10-15(25)20-17-14-11-24(19(3,4)16(14)21-22-17)18(26)13-6-8-23(5)9-7-13/h12-13H,6-11H2,1-5H3,(H2,20,21,22,25)
InChIKey
HUXYBQXJVXOMKX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pha-793887
CAS: 718630-59-2
CID: 46191454
Formula: C19H31N5O2
MW: 361.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight361.5
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass361.24777525
Monoisotopic Mass361.24777525
Topological Polar Surface Area81.3 Ų
Heavy Atom Count26
Formal Charge0
Complexity542
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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