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【结 构 式】 
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【药物名称】VB-5122 【化学名称】1-[2,6-Bis(1-pyrrolidinyl)pyrimidin-4-yl]-4-[3-chloro-5-[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]benzyl]piperazine 【CA登记号】 【 分 子 式 】C30H35ClN10 【 分 子 量 】571.13345 |
【开发单位】Vrije Universiteit (Originator) 【药理作用】Lipid Peroxidation Inhibitors, Xanthine Oxidase Inhibitors |
合成路线1
The condensation of 2,4-bis(1-pyrrolidinyl)-6-(1-piperazinyl)pyrimidine (I) with 3-(bromomethyl)-5-chlorobenzonitrile (II) gives the disubstituted piperazine derivative (III). The partial hydrolysis of the CN group of (III) with methanol/HCl yiedls the iminoether (IV), which is condensed with 4-pyridylcarbonylhydrazide (V) to afford the amidrazone (VI). Finally, this compound is cyclized by heating.
| 【1】 van der Goot, H.; et al.; New antioxidants with strong free radical scavenging and xanthine oxidase inhibiting activity. 15th European Federation for Medicinal Chemistry International Symposium on Medicinal Chemistry (Sept 6 1998, Edinburgh) 1998, Abst P.243. |
| 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) | 26075 | 4-(1-piperazinyl)-2,6-di(1-pyrrolidinyl)pyrimidine | C16H26N6 | 详情 | 详情 | |
| (II) | 26076 | 3-(bromomethyl)-5-chlorobenzonitrile | C8H5BrClN | 详情 | 详情 | |
| (III) | 26077 | 3-chloro-5-([4-[2,6-di(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]methyl)benzonitrile | C24H30ClN7 | 详情 | 详情 | |
| (IV) | 26078 | methyl 3-chloro-5-([4-[2,6-di(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]methyl)benzenecarboximidoate | C25H34ClN7O | 详情 | 详情 | |
| (V) | 26079 | Isonicotinohydrazide | 54-85-3 | C6H7N3O | 详情 | 详情 |
| (VI) | 26080 | N'-[[3-chloro-5-([4-[2,6-di(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]methyl)phenyl](imino)methyl]isonicotinohydrazide | C30H37ClN10O | 详情 | 详情 |
Extended Information