ChemicalBook--->CAS DataBase List--->718630-59-2

718630-59-2

718630-59-2 Structure

718630-59-2 Structure
IdentificationBack Directory
[Name]

3-Methyl-N-[1,4,5,6-tetrahydro-6,6-dimethyl-5-[(1-methyl-4-piperidinyl)carbonyl]pyrrolo[3,4-c]pyrazol-3-yl]butanamide
[CAS]

718630-59-2
[Synonyms]

CS-350
PHA-793887
PHA-793887;PHA793887
PHA-793887 USP/EP/BP
3-Methyl-N-[1,4,5,6-tetrahydro-6,6-dimethyl-5-[(1-methyl-4-piperidinyl)carbonyl]pyrrolo[3,4-c]
N-(6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl)-3-methylbutanamide
N-(6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl)-3-methylbutanamide
3-Methyl-N-[1,4,5,6-tetrahydro-6,6-dimethyl-5-[(1-methyl-4-piperidinyl)carbonyl]pyrrolo[3,4-c]pyrazol-3-yl]butanamide
Butanamide, 3-methyl-N-[1,4,5,6-tetrahydro-6,6-dimethyl-5-[(1-methyl-4-piperidinyl)carbonyl]pyrrolo[3,4-c]pyrazol-3-yl]-
PHA-793887 3-Methyl-N-[1,4,5,6-tetrahydro-6,6-dimethyl-5-[(1-methyl-4-piperidinyl)carbonyl]pyrrolo[3,4-c]pyrazol-3-yl]butanamide
3-Methyl-N-[1,4,5,6-tetrahydro-6,6-dimethyl-5-[(1-methyl-4-piperidinyl)carbonyl]pyrrolo[3,4-c]pyrazol-3-yl]butanamide PHA-793887
[Molecular Formula]

C19H31N5O2
[MDL Number]

MFCD17169992
[MOL File]

718630-59-2.mol
[Molecular Weight]

361.482
Chemical PropertiesBack Directory
[Melting point ]

>147°C (dec.)
[Boiling point ]

596.2±50.0 °C(Predicted)
[density ]

1.176±0.06 g/cm3(Predicted)
[storage temp. ]

Hygroscopic, Refrigerator, under inert atmosphere
[solubility ]

DMSO (Slightly), Methanol(Slightly)
[form ]

Solid
[pka]

13.74±0.40(Predicted)
[color ]

Off-White to Pale Yellow
[Stability:]

Hygroscopic
Hazard InformationBack Directory
[Chemical Properties]

White to Off-White Solid
[Uses]

PHA-793887 is a potent CDK (cyclin-dependent kinase) inhibitor. Recent studies shows that PHA-793887 has promising therapeutic activity against acute leukemias in vitro and in vivo. PHA-793887 was used to successfully modulate E2F transcriptional factor-dependent cell cycle, DNA replication, mitosis and apoptosis related gene in both tumors and skin biopsy from patients with solid tumors.
[Definition]

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

This cyclin kinase-directed inhibitor (FW = 361.48 g/mol; CAS 718630-59- 2, 718630-60-5 (HCl); Solubility: 70 mg/mL DMSO; <1 mg/mL Water; Formulation: Dissolve in 5% dextrose solution), also known as N- (6,6- dimethyl-5- (1-methylpiperidine-4-carbonyl) -1,4,5,6-tetrahydropyrrolo[3,4- c]pyrazol-3-yl) -3-methylbutanamide, targets CDK2, CDK5 and CDK7 with IC50 values of 8 nM, 5 nM and 10 nM, respectively. Alternative target: glycogen synthase-3 kinase-β (GSK-3β). Cyclin Target Selectivity: Cdk1 (weak, if any), Cdk2 (+++), Cdk3 (weak, if any), Cdk4 (weak, if any), Cdk5 (+++), Cdk6 (weak, if any), Cdk7 (+++), Cdk8 (weak, if any), Cdk9 (weak, if any), Cdk10 (weak, if any).
[target]

CDK5/p25
Spectrum DetailBack Directory
[Spectrum Detail]

PHA-793887(718630-59-2)1HNMR
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