S-[[1-([[(1S)-1-benzyl-2-(benzylamino)-2-oxoethyl]amino]carbonyl)-4-ethoxycyclohexyl]methyl] ethanethioate -Drug Synthesis Database

【结构式】

【分子编号】25511

【品名】S-[[1-([[(1S)-1-benzyl-2-(benzylamino)-2-oxoethyl]amino]carbonyl)-4-ethoxycyclohexyl]methyl] ethanethioate

【CA登记号】

【分子式】C₂₈H₃₆N₂O₄S

【分子量】496.67092

【元素组成】C 67.71% H 7.31% N 5.64% O 12.89% S 6.46%

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：(XII)

The mesylation of alcohol (X) yielded mesylate (XI), which was treated with potassium thioacetate to afford the thioacetate ester (XII). Finally, this thioacetate was hydrolyzed to the target thiol with NaOH.

参考文献中间体

合成目标

【1】 Fink, C.A.; et al.; Design and synthesis of thiol containing inhibitors of matrix metalloproteinases. Bioorg Med Chem Lett 1999, 9, 2, 195.
【2】 Fink, C.A. (Novartis AG); Certain cyclic thio substd. acylaminoacid amide derivs.. EP 0966439; US 6034136; WO 9842662 .

中间体序号	中间体编号	品名	分子式	供应商	用于合成
(X)	25509	N-[(1S)-1-benzyl-2-(benzylamino)-2-oxoethyl]-4-ethoxy-1-(hydroxymethyl)cyclohexanecarboxamide	C₂₆H₃₄N₂O₄	详情	详情
(XI)	25510	[1-([[(1S)-1-benzyl-2-(benzylamino)-2-oxoethyl]amino]carbonyl)-4-ethoxycyclohexyl]methyl methanesulfonate	C₂₇H₃₆N₂O₆S	详情	详情
(XII)	25511	S-[[1-([[(1S)-1-benzyl-2-(benzylamino)-2-oxoethyl]amino]carbonyl)-4-ethoxycyclohexyl]methyl] ethanethioate	C₂₈H₃₆N₂O₄S	详情	详情

Extended Information