Roniciclib, also known as BAY 1000394; is an orally bioavailable cyclin dependent kinase (CDK) inhibitor with potential antineoplastic activity. pan-CDK inhibitor BAY1000394 selectively binds to and inhibits the activity of CDK1/Cyclin B, CDK2/Cyclin E, CDK4/Cyclin D1, and CDK9/Cyclin T1, serine/threonine kinases that play key roles in the regulation of the cell cycle progression and cellular proliferation. Inhibition of these kinases leads to cell cycle arrest during the G1/S transition, thereby leading to an induction of apoptosis, and inhibition of tumor cell proliferation. (last updated: 3/2/2016)
CAS 1223498-69-8 MFCD323498698
化学结构图
SMILES: C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(S(=N)(=O)C3CC3)cc2)ncc1C(F)(F)F
化学属性
| Mol. Weight | 430.44 |
|---|---|
| Appearance | Solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| Chemical Name | Roniciclib, also known as BAY 1000394; is an orally bioavailable cyclin dependent kinase (CDK) inhibitor with potential antineoplastic activity. pan-CDK inhibitor BAY1000394 selectively binds to and inhibits the activity of CDK1/Cyclin B, CDK2/Cyclin E, CDK4/Cyclin D1, and CDK9/Cyclin T1, serine/threonine kinases that play key roles in the regulation of the cell cycle progression and cellular proliferation. Inhibition of these kinases leads to cell cycle arrest during the G1/S transition, thereby leading to an induction of apoptosis, and inhibition of tumor cell proliferation. (last updated: 3/2/2016) |
|---|---|
| Formula | C18H21F3N4O3S |
| Synonym | BAY1000394; BAY1000394; BAY 1000394; Roniciclib. |
| IUPAC Name | (2R,3R)-3-((2-((4-(cyclopropanesulfonimidoyl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)oxy)butan-2-ol |
| InChIKey | UELYDGOOJPRWGF-MFOHZAOFSA-N |
| InChI | InChI=1S/C18H21F3N4O3S/c1-10(26)11(2)28-16-15(18(19,20)21)9-23-17(25-16)24-12-3-5-13(6-4-12)29(22,27)14-7-8-14/h3-6,9-11,14,22,26H,7-8H2,1-2H3,(H,23,24,25)/t10-,11-,29?/m1/s1 |
| Canonical SMILES | C[C@@H](O)[C@H](OC1=NC(NC2=CC=C(S(=N)(C3CC3)=O)C=C2)=NC=C1C(F)(F)F)C |
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- Roniciclib, also known as BAY 1000394; is an orally bioavailable cyclin dependent kinase (CDK) inhibitor with potential antineoplastic activity. pan-CDK inhibitor BAY1000394 selectively binds to and inhibits the activity of CDK1/Cyclin B, CDK2/Cyclin E, CDK4/Cyclin D1, and CDK9/Cyclin T1, serine/threonine kinases that play key roles in the regulation of the cell cycle progression and cellular proliferation. Inhibition of these kinases leads to cell cycle arrest during the G1/S transition, thereby leading to an induction of apoptosis, and inhibition of tumor cell proliferation. (last updated: 3/2/2016)
