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【结 构 式】

【分子编号】64331

【品名】2-[(1S,2S,13R,21R)-22-(cyclopropylmethyl)-2,16-dihydroxy-14-oxa-11,22-diazaheptacyclo[13.9.1.0~1,13~.0~2,21~.0~4,12~.0~5,10~.0~19,25~]pentacosa-4(12),5,7,9,15(25),16,18-heptaen-7-yl]acetonitrile

【CA登记号】

【 分 子 式 】C28H27N3O3

【 分 子 量 】453.5408

【元素组成】C 74.15% H 6% N 9.26% O 10.58%

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)

Fischer indole cyclization of naltrexone (I) with 4-(cyanomethyl)phenylhydrazine (II) produces the indolomorphinan derivative (III). Subsequent reduction of the cyano group of (III) by catalytic hydrogenation over Raney-nickel produces amine (IV). This is then condensed with methyl acetimidate (V) to furnish the corresponding amidine.

1 Stevens, W.C.; Jones, R.M.; Subramanian, G.; Metzger, T.G.; Ferguson, D.M.; Portoghese, P.S.; Potent and selective indolomorphinan antagonists of the kappa-opioid receptor. J Med Chem 2000, 43, 14, 2759.
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) 25079 (1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.0(1,13).0(5,17).0(7,18)]octadeca-7(18),8,10-trien-14-one; Naltrexone 16590-41-3 C20H23NO4 详情 详情
(II) 64330 2-(4-hydrazinophenyl)acetonitrile C8H9N3 详情 详情
(III) 64331 2-[(1S,2S,13R,21R)-22-(cyclopropylmethyl)-2,16-dihydroxy-14-oxa-11,22-diazaheptacyclo[13.9.1.0~1,13~.0~2,21~.0~4,12~.0~5,10~.0~19,25~]pentacosa-4(12),5,7,9,15(25),16,18-heptaen-7-yl]acetonitrile C28H27N3O3 详情 详情
(IV) 64332 (1S,2S,13R,21R)-7-(2-aminoethyl)-22-(cyclopropylmethyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.0~1,13~.0~2,21~.0~4,12~.0~5,10~.0~19,25~]pentacosa-4(12),5,7,9,15(25),16,18-heptaene-2,16-diol C28H31N3O3 详情 详情
(V) 54699 Methyl ethanimidoate; Methyl acetimidate C3H7NO 详情 详情
Extended Information