| Identification | Back 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 Properties | Back 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 | [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 | [SMILES]
C(NC1=NNC2C(C)(C)N(C(C3CCN(C)CC3)=O)CC=21)(=O)CC(C)C |
| Hazard Information | Back 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. | [Biological Activity]
PHA-793887 is a highly potent and selective pan-CDK inhibitor (CDK1/2//4/5/7/9 IC50 5-140 nM; IC50 >10 μM against 34 other kinases) with anti-proliferative activity against several solid tumor cell lines (IC50 <1 μM) by blocking Rb phosphorylation and the expression of S-phase cyclinssuch as cyclin A. PHA-793887 exhibits in vivo anti-leukemia efficacy in murine xenograft models (20 mg/kg via daily i.v.; HL60K562ALL-2 or AML-PS). | [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 |
|
| Company Name: |
J & K SCIENTIFIC LTD.
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18210857532 18210857532 |
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https://www.jkchemical.com |
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NCE Biomedical Co.,Ltd.
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4000-027-021 |24 +86-13986109188 | +86-15623472865 | +81-08033611988 |
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www.chemicalbook.com/ShowSupplierProductsList15748/0_EN.htm |
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LETOPHARM LIMITED
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+86-21-5821 5861 |
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www.letopharm.com |
| Company Name: |
SPIRO PHARMA
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www.spiropharma.com.cn |
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