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【结 构 式】

【分子编号】55959

【品名】(7R,9S,10R,13S,14S,17S)-17-acetyl-7-[(4-aminophenyl)sulfanyl]-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one

【CA登记号】

【 分 子 式 】C27H35NO2S

【 分 子 量 】437.64644

【元素组成】C 74.1% H 8.06% N 3.2% O 7.31% S 7.33%

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:(IV)

Progesterone (I) was oxidized to the 6-dehydro derivative (II) using 2,3-dichloro-5,6-dicyano-1,4-benzoquinone. Conjugate addition of 4-aminothiophenol (III) to dienone (II) furnished the aminophenyl sulfide (IV). The target urea was then obtained by coupling of the amino compound (IV) with (R)-alpha-methylbenzyl isocyanate (V).

1 Clarke, R.; Leonessa, F.; Ghiorghis, A.; Kulawiec, R.J.; Talebian, A.; Kim, J.-H.; Hammer, C.; C-7 analogues of progesterone as potent inhibitors of the P-glycoprotein efflux pump. J Med Chem 2002, 45, 2, 390.
2 Clarke, R.; Talebian, A.H.; Ghiorghis, A.; Leonessa, F.; Hammer, C. (Georgetown University); Progesterone analogs to reverse multidrug resistance. WO 9700683 .
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) 55957 (9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one; (S)-Pregn-4-en-3,20-dione; 3,20-pregnene-4; 4-Pregnene-3,20-dione; beta-progesterone; Corlutin; Corlutina; Corluvite; Corporin; Corpus luteum hormone; Flavolutan; Fologenon; Gestone; Gestormone; Glanducorpin; Homoflaveine; Hormoluton; Lipolutin; Lucorteum; Luteal hormone; Lutein; Luteinique; Luteodyn; Luteogan; Luteohormone; Luteol; Luteosan; Luteostab; Luteovis; Lutex; Lutidon; Lutocyclin; Lutocylin; Lutocylol; Lutoform; Lutogyl; Lutren; Lutromone; Piaponon; Pranone; Pregn-4-ene-3,20-dione; pregnendione; Pregnene-3,20-dione; Pregnenedione; Primolut; Progekan; Progesterol; Progesterone; Progesteronum; Progestone; Prolidon; Syntolutan 57-83-0 C21H30O2 详情 详情
(II) 55958 (9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one 1162-56-7 C21H28O2 详情 详情
(III) 16490 4-aminophenylhydrosulfide; 4-aminothiophenol; 4-aminobenzenethiol 1193-02-8 C6H7NS 详情 详情
(IV) 55959 (7R,9S,10R,13S,14S,17S)-17-acetyl-7-[(4-aminophenyl)sulfanyl]-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one C27H35NO2S 详情 详情
(V) 30212 1-[(1R)-1-isocyanatoethyl]benzene; (1R)-1-phenylethyl isocyanate 33375-06-3 C9H9NO 详情 详情
Extended Information