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
CAS: 718630-59-2
Molecular Formula: C19H31N5O2
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 - Names and Identifiers
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 - Physico-chemical Properties
| Molecular Formula | C19H31N5O2 |
| Molar Mass | 361.48 |
| Density | 1.176±0.06 g/cm3(Predicted) |
| Melting Point | >147°C (dec.) |
| Boling Point | 596.2±50.0 °C(Predicted) |
| Solubility | DMSO ≥70mg/mL Water <1.2mg/mL Ethanol ≥70mg/mL |
| Appearance | Solid |
| Color | Off-White to Pale Yellow |
| pKa | 13.74±0.40(Predicted) |
| Storage Condition | Hygroscopic, Refrigerator, under inert atmosphere |
| Stability | Hygroscopic |
| Use | PHA-793887 is a new and effective inhibitor of CDK2,CDK5 and CDK7. IC50 is 8 nM, 5 nM and 10 nM respectively. The selectivity of CDK2, 5 and 7 is more than 6 times higher than that of CDK1, 4 and 9. |
| In vitro study | PHA-793887 inhibit the proliferation of many tumor cell lines, including A2780, HCT-116, COLO-205, C- 433, DU-145, A375, PC3, MCF-7, and BX-PC3, with an IC50 of 88NM to 3.4 μm. PHA-793887 cytotoxicity on leukemia cell lines including K562, KU812, KCL22, and TOM1, with IC50 of 0.3-7 μm, however, there is no cytotoxicity when acting on normal unstimulated peripheral blood mononuclear cells or CD34 hematopoietic stem cells. PHA-793887 has high activity on leukemic cell lines with IC50< 0.1 μm. PHA-793887 induces cell cycle arrest, inhibits Rb and nuclear phosphoprotein phosphorylation, Regulates cyclin E and cdc6 expression at 0.2 − 1 μm, and induces apoptosis at 5 μm. |
| In vivo study | PHA-793887(10-30 mg/kg) is highly effective in human ovarian cancer A2780, colon cancer HCT-116, and pancreatic cancer BX-PC3 xenograft models. PHA-793887(20 mg/kg) effect on transplanted tumor model carrying K562 and HL60 cells, primary leukemia diffusion cell model, and relapsed Philadelphia-positive acute lymphoblastic leukemia patients were highly effective in obtaining a high-burden spreading ALL-2 model. |
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 - Preparation solution concentration reference
| 1mg | 5mg | 10mg | |
|---|---|---|---|
| 1 mM | 2.766 ml | 13.832 ml | 27.664 ml |
| 5 mM | 0.553 ml | 2.766 ml | 5.533 ml |
| 10 mM | 0.277 ml | 1.383 ml | 2.766 ml |
| 5 mM | 0.055 ml | 0.277 ml | 0.553 ml |
Last Update：2024-01-02 23:10:35
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 - Reference Information
| biological activity | PHA-793887 is a novel and potent inhibitor of CDK2,CDK5 and CDK7 with IC50 of 8 nM, 5 nM and 10 nM, acting on CDK2, 5, and 7 were more than 6 times more selective than acting on CDK1, 4, and 9. Phase 1. PHA-793887 is a novel potent CDK2,CDK5, and CDK7 inhibitor with IC50 of 8 nM, 5 nM, and 10 nM, respectively, 4, and 9 selectivity is more than 6 times. PHA-793887 can induce cell cycle arrest and apoptosis. Phase 1. |
| signature | PHA-793887 is a novel potent second-generation CDK inhibitor. |
| Target | Value |
| CDK5/p25 (Cell-free assay) | 5 nM |
| CDK2/CyclinA (Cell-free assay) | 8 nM |
| CDK2/CyclinE (Cell-free assay) | 8 nM |
| CDK7/CyclinH (Cell-free assay) | 10 nM |
| CDK1/CyclinB (Cell-free assay) | 60 nM |
Last Update：2024-04-10 22:29:15
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Product Name: PHA-793887 Visit Supplier Webpage Request for quotation
CAS: 718630-59-2
Tel: 18301782025
Email: 3008007409@qq.com
Mobile: 18021002903
QQ: 3008007409
Wechat: 18301782025
CAS: 718630-59-2
Tel: 18301782025
Email: 3008007409@qq.com
Mobile: 18021002903
QQ: 3008007409
Wechat: 18301782025
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