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【结 构 式】

【分子编号】36785

【品名】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

【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:(IIIa)

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