(R)-N-(5-(2-Methoxy-2-Phenylacetyl)-1,4,5,6-Tetrahydropyrrolo[3,4-c]Pyrazol-3-Yl)-4-(4-Methylpiperazin-1-Yl)Benzamide (R)-N-(5-(2-甲氧基-2-苯乙酰基)-1,4,5,6-四氢吡咯并[3,4-c]吡唑-3-基)-4-(4-甲基哌嗪-1-基)苯甲酰胺
CAS 827318-97-8 MFCD27318978
化学结构图
SMILES: CO[C@@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1
化学属性
| Mol. Weight | 474.55 |
|---|---|
| Mol. Formula | C26H30N6O3 |
| Appearance | Solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| CAS Number | 827318-97-8 |
|---|---|
| Chemical Name | (R)-N-(5-(2-Methoxy-2-Phenylacetyl)-1,4,5,6-Tetrahydropyrrolo[3,4-c]Pyrazol-3-Yl)-4-(4-Methylpiperazin-1-Yl)Benzamide |
| Synonym | 4-(4-Methyl-1-piperazinyl)-N-[1,4,5,6-tetrahydro-5-[(2R)-2-methoxy-2-phenylacetyl]pyrrolo[3,4-c]pyrazol-3-yl]benzamide PHA 739358 PHA-739358 PHA739358 PHA739358; PHA-739358; PHA 739358; Danusertib. danusertib |
| LabNetwork Molecule ID | LN01277578 |
| Chemical Name Translation | (R)-N-(5-(2-甲氧基-2-苯乙酰基)-1,4,5,6-四氢吡咯并[3,4-c]吡唑-3-基)-4-(4-甲基哌嗪-1-基)苯甲酰胺 |
| PubChem Substance ID | 11442891 |
| InChI | InChI=1S/C26H30N6O3/c1-30-12-14-31(15-13-30)20-10-8-19(9-11-20)25(33)27-24-21-16-32(17-22(21)28-29-24)26(34)23(35-2)18-6-4-3-5-7-18/h3-11,23H,12-17H2,1-2H3,(H2,27,28,29,33)/t23-/m1/s1 |
| Formula | C26H30N6O3 |
| IUPAC Name | (R)-N-(5-(2-methoxy-2-phenylacetyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl)-4-(4-methylpiperazin-1-yl)benzamide |
| InChIKey | XKFTZKGMDDZMJI-HSZRJFAPSA-N |
| Canonical SMILES | O=C(NC1=NNC2=C1CN(C([C@H](OC)C3=CC=CC=C3)=O)C2)C4=CC=C(N5CCN(C)CC5)C=C4 |
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分类
- Inhibitors
- Pharmaceuticals
- Intermediates & Fine Chemicals
产品应用
- Danusertib, also known as PHA-739358, is a small-molecule 3-aminopyrazole derivative with potential antineoplastic activity. Aurora kinase inhibitor PHA-739358 binds to and inhibits the Aurora kinases, which may result in cell growth arrest and apoptosis in tumor cells in which Aurora kinases are overexpressed. This agent may preferentially bind to and inhibit Aurora B kinase. Aurora kinases, a family of serine-threonine kinases, are important regulators of cellular proliferation and division.
相关文献及参考
- Fancelli, D., et al.: J. Med. Chem., 49, 7247 (2006),
- Carpinelli, P., et al.: Mol. Canc. Ther., 6, 3158 (2007),
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