N-[2-[(1R,8S)-4-[[4-(Cyclobutylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-11-yl]-2-oxoethyl]acetamide PF-03814735
CAS 942487-16-3 MFCD042487163
化学结构图
SMILES: CC(=O)NCC(=O)N1[C@H]2CC[C@@H]1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12
化学属性
| Mol. Weight | 474.48 |
|---|---|
| Appearance | Solid powder |
| Solubility | soluble in DMSO, not soluble in water. |
别名和识别编码
| Chemical Name | PF-03814735 |
|---|---|
| Chemical Name Translation | PF-03814735 |
| PubChem Substance ID | 51346455 |
| InChI | InChI=1S/C23H25F3N6O2/c1-12(33)27-11-20(34)32-18-7-8-19(32)16-9-14(5-6-15(16)18)30-22-28-10-17(23(24,25)26)21(31-22)29-13-3-2-4-13/h5-6,9-10,13,18-19H,2-4,7-8,11H2,1H3,(H,27,33)(H2,28,29,30,31)/t18-,19+/m0/s1 |
| Synonym | N-(2-(6-(4-cyclobutylamino-5-trifluoromethylpyrimidine-2-ylamino)-1,2,3,4-tetrahydro-1,4-epiazano-naphthalen-9-yl)-2-oxo-ethyl)acetamide PF 03814735 PF-03814735 PF03814735 PF03814735; PF-03814735; PF 03814735. |
| Formula | C23H25F3N6O2 |
| IUPAC Name | N-(2-((1S,4R)-6-((4-(cyclobutylamino)-5-(trifluoromethyl)pyrimidin-2-yl)amino)-1,2,3,4-tetrahydro-1,4-epiminonaphthalen-9-yl)-2-oxoethyl)acetamide |
| InChIKey | RYYNGWLOYLRZLK-RBUKOAKNSA-N |
| Canonical SMILES | CC(NCC(N1[C@@]2([H])CC[C@]1([H])C3=C2C=CC(NC4=NC=C(C(F)(F)F)C(NC5CCC5)=N4)=C3)=O)=O |
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产品应用
- PF-03814735 is an orally bioavailable, ATP-competitive, reversible small-molecule Aurora kinase inhibitor with potential antineoplastic activity. Aurora kinase inhibitor PF-03814735 binds to and inhibits Aurora kinases A and B, which may result in the inhibition of cellular division and proliferation in tumor cells that overexpress these kinases. Aurora kinases are serine-threonine kinases that play essential roles in mitotic checkpoint control during mitosis.
