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【结 构 式】

【分子编号】26833

【品名】9H-fluoren-9-ylmethyl (3R,6S,8aS)-3-[(Z)-7-[(tert-butoxycarbonyl)amino]-11,11-dimethyl-9-oxo-10-oxa-2,6,8-triaza-7-dodecen-1-anoyl]-5-oxohexahydro-5H-[1,3]thiazolo[3,2-a]pyridin-6-ylcarbamate

【CA登记号】

【 分 子 式 】C37H48N6O8S

【 分 子 量 】736.88976

【元素组成】C 60.31% H 6.57% N 11.4% O 17.37% S 4.35%

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:(III)

Coupling of thiazolopyridine (I) with amine (II) in the presence of EDC and HOBt provided amide (III). Deprotection of the Fmoc group of (III) was effected with piperidine in CH2Cl2 and the resulting amine (IV) was condensed with benzylsulfonyl chloride (V) to afford sulfonamide (VI). Finally, both Boc protecting groups of (VI) were removed with TFA to yield the title guanidine as the bis(trifluoroacetate) salt.

1 Wagner, J.; Kallen, J.; Ehrhardt, C.; Evenou, J.-P.; Wagner, D.; Rational design, synthesis, and X-ray structure of selective noncovalent thrombin inhibitors. J Med Chem 1998, 41, 19, 3664.
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) 26832 (3R,6S,8aS)-6-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-5-oxohexahydro-5H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid C23H22N2O5S 详情 详情
(II) 26836 tert-butyl (Z)-[(3-aminopropyl)amino][(tert-butoxycarbonyl)amino]methylidenecarbamate C14H28N4O4 详情 详情
(III) 26833 9H-fluoren-9-ylmethyl (3R,6S,8aS)-3-[(Z)-7-[(tert-butoxycarbonyl)amino]-11,11-dimethyl-9-oxo-10-oxa-2,6,8-triaza-7-dodecen-1-anoyl]-5-oxohexahydro-5H-[1,3]thiazolo[3,2-a]pyridin-6-ylcarbamate C37H48N6O8S 详情 详情
(IV) 26834 tert-butyl (Z)-[[3-([[(3R,6S,8aS)-6-amino-5-oxohexahydro-5H-[1,3]thiazolo[3,2-a]pyridin-3-yl]carbonyl]amino)propyl]amino][(tert-butoxycarbonyl)amino]methylidenecarbamate C22H38N6O6S 详情 详情
(V) 25151 phenylmethanesulfonyl chloride 1939-99-7 C7H7ClO2S 详情 详情
(VI) 26835 tert-butyl (Z)-([3-[([(3R,6S,8aS)-6-[(benzylsulfonyl)amino]-5-oxohexahydro-5H-[1,3]thiazolo[3,2-a]pyridin-3-yl]carbonyl)amino]propyl]amino)[(tert-butoxycarbonyl)amino]methylidenecarbamate C29H44N6O8S2 详情 详情
Extended Information