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【结 构 式】

【分子编号】43482

【品名】ethyl 3-[8-[([(1S)-1-(1,3-benzothiazol-2-ylmethyl)-2-[4-(2-fluoroethyl)-1-piperidinyl]-2-oxoethyl]amino)sulfonyl]-3,3-dimethyl-1,2,3,4-tetrahydro-6-quinolinyl]propanoate

【CA登记号】

【 分 子 式 】C33H43FN4O5S2

【 分 子 量 】658.8587832

【元素组成】C 60.16% H 6.58% F 2.88% N 8.5% O 12.14% S 9.73%

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:(XXXIV)

Coupling between sulfonyl chloride (XXIV) and amine (XIV) provided sulfonamide (XXXIV). The ethyl ester group of (XXXIV) was then hydrolyzed to carboxylic acid (XXXV), which was finally coupled with N-(2-morpholin-4-yl-2-oxoethyl)piperazine (XXXVI) to furnish the title amide.

1 Hayler, J.; LeGrand, D.; Kane, P.D.; et al.; The design and synthesis of thrombin inhibitors: The introduction of in vivo efficacy and oral bioavailability into benzthiazolylalanine inhibitors. Bioorg Med Chem Lett 2000, 10, 14, 1567.
2 Smith, G.P.; Brundish, D.E.; Menear, K.A.; Walker, C.V.; Herold, P.; Fullerton, J.D.; Allen, M.C.; Le Grand, D.M.; Kane, P.D.; Cockcroft, X.-L.; Wathey, W.B.; Butler, P.I.; Hatto, J.D.I.; Hayler, J.D. (Novartis AG); Tetrahydroquinoline inhibitors of trypsin and thrombin. GB 2312674 .
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(XIV) 43465 (2S)-2-amino-3-(1,3-benzothiazol-2-yl)-1-[4-(2-fluoroethyl)-1-piperidinyl]-1-propanone C17H22FN3OS 详情 详情
(XXIV) 43472 ethyl 3-[8-(chlorosulfonyl)-3,3-dimethyl-1,2,3,4-tetrahydro-6-quinolinyl]propanoate C16H22ClNO4S 详情 详情
(XXXIV) 43482 ethyl 3-[8-[([(1S)-1-(1,3-benzothiazol-2-ylmethyl)-2-[4-(2-fluoroethyl)-1-piperidinyl]-2-oxoethyl]amino)sulfonyl]-3,3-dimethyl-1,2,3,4-tetrahydro-6-quinolinyl]propanoate C33H43FN4O5S2 详情 详情
(XXXV) 43483 3-[8-[([(1S)-1-(1,3-benzothiazol-2-ylmethyl)-2-[4-(2-fluoroethyl)-1-piperidinyl]-2-oxoethyl]amino)sulfonyl]-3,3-dimethyl-1,2,3,4-tetrahydro-6-quinolinyl]propionic acid C31H39FN4O5S2 详情 详情
(XXXVI) 43484 1-(4-morpholinyl)-2-(1-piperazinyl)-1-ethanone C10H19N3O2 详情 详情
Extended Information