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【结 构 式】 
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【分子编号】36786 【品名】tert-butyl (E)-([(4S,5R)-5-(1,3-benzothiazol-2-yl)-4-[(tert-butoxycarbonyl)amino]-5-hydroxypentyl]amino)[[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]amino]methylidenecarbamate 【CA登记号】 |
【 分 子 式 】C33H47N5O8S2 【 分 子 量 】705.89708 【元素组成】C 56.15% H 6.71% N 9.92% O 18.13% S 9.09% |
与该中间体有关的原料药合成路线共 1 条
合成路线1
该中间体在本合成路线中的序号：(IIIb)The precursor aminoalcohol (IV) was prepared as follows: Addition of the organolithium derivative of benzothiazole (II) to the protected argininal (I) gave alcohol (IIIa-b) as a diastereomeric mixture. Then, selective removal of the Boc groups of (IIIa-b) using TFA provided compound (IVa-b).
| 【1】 Nakanishi, H.; Ogbu, C.O.; Shea, J.P.; Cao, B.; Kahn, M.; Boatman, P.D.; Kim, H.-O.; Eguchi, M.; Secondary structure peptide mimetics: Design, synthesis, and evaluation of beta-strand mimetic thrombin inhibitors. J Med Chem 1999, 42, 8, 1367. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (IIIa) | 36785 | tert-butyl (E)-([(4S,5S)-5-(1,3-benzothiazol-2-yl)-4-[(tert-butoxycarbonyl)amino]-5-hydroxypentyl]amino)[[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]amino]methylidenecarbamate | C33H47N5O8S2 | 详情 | 详情 | |
| (IIIb) | 36786 | tert-butyl (E)-([(4S,5R)-5-(1,3-benzothiazol-2-yl)-4-[(tert-butoxycarbonyl)amino]-5-hydroxypentyl]amino)[[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]amino]methylidenecarbamate | C33H47N5O8S2 | 详情 | 详情 | |
| (IVa) | 36787 | 2-[(1S,2S)-2-amino-1-hydroxy-5-[(imino[[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]amino]methyl)amino]pentyl]-1,3-benzothiazole | C23H31N5O4S2 | 详情 | 详情 | |
| (IVb) | 36788 | 2-[(1R,2S)-2-amino-1-hydroxy-5-[(imino[[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]amino]methyl)amino]pentyl]-1,3-benzothiazole | C23H31N5O4S2 | 详情 | 详情 | |
| (I) | 36783 | tert-butyl (E)-([(4S)-4-[(tert-butoxycarbonyl)amino]-5-oxopentyl]amino)[[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]amino]methylidenecarbamate | C26H42N4O8S | 详情 | 详情 | |
| (II) | 36784 | 1,3-benzothiazole | 95-16-9 | C7H5NS | 详情 | 详情 |
Extended Information