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【结 构 式】 
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【药物名称】CGP-79807 【化学名称】trans-3-[9-Ethyl-2-(4-hydroxycyclohexylamino)-9H-purin-6-ylamino]benzonitrile 【CA登记号】 【 分 子 式 】C20H23N7O 【 分 子 量 】377.45261 |
【开发单位】Novartis (Originator) 【药理作用】ONCOLYTIC DRUGS, Cyclin-Dependent Kinase Inhibitors, Inhibitors of Signal Transduction Pathways |
合成路线1
Condensation between dichloropurine (I) and substituted aniline (II) in pentanol affords derivative (III), which is then alkylated with ethyl iodide (IV) by means of Cs2CO3 in DMF to provide purine (V). Finally, the desired compound is obtained by attack of amine (VI) and displacement of the chlorine atom of derivative (V) in diglyme.
| 【1】 Bruggen, J.; Caravatti, G.; Capraro, H.-G.; et al.; Chemistry and biological characterization of CGP79807, a highly selective CDK1/2 inhibitor. 221st ACS Natl Meet (April 1 2001, San Diego) 2001, Abst MEDI 150. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (I) | 25254 | 2,6-dichloro-9H-purine | 5451-40-1 | C5H2Cl2N4 | 详情 | 详情 |
| (II) | 28662 | 3-aminobenzonitrile | 2237-30-1 | C7H6N2 | 详情 | 详情 |
| (III) | 48922 | 3-[(2-chloro-9H-purin-6-yl)amino]benzonitrile | C12H7ClN6 | 详情 | 详情 | |
| (IV) | 10925 | Iodoethane;ethyl iod | 75-03-6 | C2H5I | 详情 | 详情 |
| (V) | 48923 | 3-[(2-chloro-9-ethyl-9H-purin-6-yl)amino]benzonitrile | C14H11ClN6 | 详情 | 详情 | |
| (VI) | 19581 | trans-4-Aminocyclohexanol；trans-4-Amino-1-cyclohexanol;trans-4-Amino-1-cyclohexanol; | 27489-62-9 | C6H13NO | 详情 | 详情 |
Extended Information