MK-0731 is a synthetic small molecule with potential antineoplastic activity. MK0731 selectively inhibits kinesin spindle protein (KSP), which may result in the inhibition of mitotic spindle assembly, induction of cell cycle arrest during the mitotic phase, and apoptosis in tumor cells that overexpress KSP. Check for active clinical trials or closed clinical trials using this agent. (NCI Thesaurus)
CAS 845256-65-7 MFCD11977272
化学结构图
SMILES: CN1CC[C@H](N(C)C(=O)N2CC(c3cc(F)ccc3F)=C[C@@]2(CO)c2ccccc2)[C@H](F)C1
化学属性
| Mol. Formula | C25H28F3N3O2 |
|---|---|
| Mol. Weight | 459.5 |
| Appearance | Solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| Chemical Name | MK-0731 is a synthetic small molecule with potential antineoplastic activity. MK0731 selectively inhibits kinesin spindle protein (KSP), which may result in the inhibition of mitotic spindle assembly, induction of cell cycle arrest during the mitotic phase, and apoptosis in tumor cells that overexpress KSP. Check for active clinical trials or closed clinical trials using this agent. (NCI Thesaurus) |
|---|---|
| Formula | C25H28F3N3O2 |
| Synonym | MK0731, MK-0731, MK 0731 |
| IUPAC Name | (S)-4-(2,5-difluorophenyl)-N-((3R,4S)-3-fluoro-1-methylpiperidin-4-yl)-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide. |
| InChIKey | MYBGWENAVMIGMM-GIFXNVAJSA-N |
| InChI | InChI=1S/C25H28F3N3O2/c1-29-11-10-23(22(28)15-29)30(2)24(33)31-14-17(20-12-19(26)8-9-21(20)27)13-25(31,16-32)18-6-4-3-5-7-18/h3-9,12-13,22-23,32H,10-11,14-16H2,1-2H3/t22-,23+,25-/m1/s1 |
| Canonical SMILES | O=C(N1[C@@](C2=CC=CC=C2)(CO)C=C(C3=CC(F)=CC=C3F)C1)N([C@@H]4[C@H](F)CN(C)CC4)C |
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- MK-0731 is a synthetic small molecule with potential antineoplastic activity. MK0731 selectively inhibits kinesin spindle protein (KSP), which may result in the inhibition of mitotic spindle assembly, induction of cell cycle arrest during the mitotic phase, and apoptosis in tumor cells that overexpress KSP. Check for active clinical trials or closed clinical trials using this agent. (NCI Thesaurus)
