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【结 构 式】

【分子编号】50240

【品名】2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl 4-nitrophenyl carbonate

【CA登记号】

【 分 子 式 】C29H32FNO9

【 分 子 量 】557.5728232

【元素组成】C 62.47% H 5.78% F 3.41% N 2.51% O 25.83%

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)

Esterification of the primary hydroxyl group of dexamethasone (I) by treatment with 4-nitrophenyl chloroformate (II) in the presence of N-methylmorpholine afforded the nitrophenyl carbonate (III). Condensation of the active ester (III) with mono-N-Boc-1,6-diaminohexane (IV) produced carbamate (V). After acidic deprotection of the Boc group, the resultant amine (VI) was acylated with succinimidyl 4-maleimidobutyrate (VII), yielding the title amide.

1 Bernasconi, A.; et al.; Synthesis of a dexamethasone-21-maleimido-linked derivative as a potential molecule for specific gene delivery. Tetrahedron Lett 2001, 42, 37, 6511.
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) 40461 (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-17-glycoloyl-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one C22H29FO5 详情 详情
(II) 16605 4-Nitrophenyl chloroformate; 1-[(Chlorocarbonyl)oxy]-4-nitrobenzene 7693-46-1 C7H4ClNO4 详情 详情
(III) 50240 2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl 4-nitrophenyl carbonate C29H32FNO9 详情 详情
(IV) 31638 tert-butyl 6-aminohexylcarbamate 51857-17-1 C11H24N2O2 详情 详情
(V) 50241 2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl 6-[(tert-butoxycarbonyl)amino]hexylcarbamate C34H51FN2O8 详情 详情
(VI) 50242 2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl 6-aminohexylcarbamate C29H43FN2O6 详情 详情
(VII) 50243 4-Maleimidobutyric acid N-hydroxysuccinimide ester; Maleimidobutyric acid N-hydroxysuccinimide ester; N-(4-Maleimidobutyryloxy)succinimide; N-(gamma-Maleimidobutyryloxy)succinimide; N-Succinimidyl 4-Maleimidobutyrate 80307-12-6 C12H12N2O6 详情 详情
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