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【结 构 式】 
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【药物名称】YM-511 【化学名称】4-[N-(4-Bromobenzyl)-N-(4-cyanophenyl)amino]-4H-1,2,4-triazole 【CA登记号】148869-05-0 【 分 子 式 】C16H12BrN5 【 分 子 量 】354.21154 |
【开发单位】Yamanouchi (Originator) 【药理作用】Breast Cancer Therapy, ENDOCRINE DRUGS, Endometriosis Therapy, Gynecological Disorders, Treatment of , Oncolytic Drugs, Aromatase Inhibitors |
合成路线1
The arylation of 1,2,4-triazol-4-amine (I) with 4-fluorobenzonitrile (II) by means of NaH in DMSO gives 4-(1,2,4-triazol-4-ylamino)benzonitrile (III), which is then condensed with 4-bromobenzyl bromide (III) by means of K2CO3 in acetonitrile.
| 【1】 Mealy, N.; Castaner, J.; YM-511. Drugs Fut 1996, 21, 7, 716. |
| 【2】 Okada, M.; Kawaminami, E.; Yoden, T.; Kudo, M.; Isomura, Y. (Yamanouchi Pharmaceutical Co., Ltd.); Triazolylated tertiary amine cpds. or salts thereof. EP 0641785; JP 1993505096; US 5674886; WO 9305027 . |
| 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) | 16106 | 4H-1,2,4-triazol-4-amine; 4-Amino-4H-1,2,4-triazole; 4H-1,2,4-triazol-4-ylamine; 4-Amino-1,2,4-triazole | 584-13-4 | C2H4N4 | 详情 | 详情 |
| (II) | 14144 | 4-Fluorobenzonitrile | 1194-02-1 | C7H4FN | 详情 | 详情 |
| (III) | 16108 | 4-(4H-1,2,4-triazol-4-ylamino)benzonitrile | C9H7N5 | 详情 | 详情 | |
| (IV) | 16109 | 1-bromo-4-(bromomethyl)benzene; 4-Bromobenzyl bromide | 589-15-1 | C7H6Br2 | 详情 | 详情 |
Extended Information