2-methoxy-3-hydroxy-25-acetylamino-19-nor-cholest-1,3,5(10),16-tetraene | 305812-48-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 2-methoxy-3-hydroxy-25-acetylamino-19-nor-cholest-1,3,5(10),16-tetraene
• 英文别名: N-[(6R)-6-[(8S,9S,13S,14S)-3-hydroxy-2-methoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptan-2-yl]acetamide
• CAS: 305812-48-0
• 化学式: C₂₉H₄₃NO₃
• 分子量: 453.665
• InChiKey: OEWPRIKISNLUJM-BLKNJPCVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  58.6
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• Steroid compounds with a c17-alkyl side chain and an aromatic a-ring for use in therapy
  申请人：Hesse Henry Robert

  公开号：US20050171075A1

  公开（公告）日：2005-08-04

  Formula (I) in which: R 1 and R 2 , which may be the same or different, each represents a lower alkyl, alkenyl or alkynyl group; R 3 represents a methyl group having α- or β-configuration; R 4 represents a hydrogen atom or an etherifying or esterifying group; R 5 represents a hydrogen atom, a hydroxyl group or a lower alkoxy group; X represents a group OR 4 , or a group NR 6 R 7 wherein R 6 represents a hydrogen atom, an aliphatic or araliphatic group, or an acyl group comprising an aliphatic, araliphatic or aryl group linked to the nitrogen atom by way of a carbonyl group; and R 7 is a hydrogen atom or a lower alkyl group; Y represents a lower alkylene, alkenylene or alkynylene group optionally substituted by a hydroxyl, etherified hydroxyl or esterified hydroxyl group; exhibit potent effects on modulation of cell growth and differentiation, while having low calcaemic activity.

  式 (I) 其中R 1 和 R 2 可以相同或不同，各自代表低级烷基、烯基或炔基； R 3 代表具有 α 或 β 构型的甲基； R 4 代表氢原子或醚化或酯化基团； R 5 代表氢原子、羟基或低级烷氧基； X 代表一个基团 OR 4 或一个基团 NR 6 R 7 其中 R 6 代表氢原子、脂族或脂肪族基团，或由通过羰基与氮原子相连的脂族、脂肪族或芳基组成的酰基；以及 R 7 是氢原子或低级烷基；Y 代表低级亚烷基、亚烯基或亚炔基，可选择被羟基、醚化羟基或酯化羟基取代；对细胞生长和分化的调节具有强效作用，同时具有较低的血钙活性。
• STEROID COMPOUNDS WITH A C17-ALKYL SIDE CHAIN AND AN AROMATIC A-RING FOR USE IN THERAPY
  申请人：RESEARCH INSTITUTE FOR MEDICINE AND CHEMISTRY INC.

  公开号：EP1179005B1

  公开（公告）日：2003-11-19
• US6881730B1
  申请人：——

  公开号：US6881730B1

  公开（公告）日：2005-04-19
• [EN] STEROID COMPOUNDS WITH A C17-ALKYL SIDE CHAIN AND AN AROMATIC A-RING FOR USE IN THERAPY<br/>[FR] COMPOSES STEROIDES AYANT UNE CHAINE LATERALE ALKYL-C17 ET UN NOYAU A AROMATIQUE, UTILISES A DES FINS THERAPEUTIQUES
  申请人：MARSDEN JOHN CHRISTOPHER

  公开号：WO2000068246A1

  公开（公告）日：2000-11-16

  Compounds of Formula (I) in which: R?1 and R2¿, which may be the same or different, each represents a lower alkyl, alkenyl or alkynyl group; R3 represents a methyl group having α- or β-configuration; R4 represents a hydrogen atom or an etherifying or esterifying group; R5 represents a hydrogen atom, a hydroxyl group or a lower alkoxy group; X represents a group OR4, wherein R4 is as defined above, or a group NR6R7 wherein R6 represents a hydrogen atom, an aliphatic or araliphatic organic group, or an acyl group comprising an aliphatic, araliphatic or aryl organic group linked to the nitrogen atom by way of a carbonyl group; and R7 is a hydrogen atom or a lower alkyl group; Y represents a lower alkylene, alkenylene or alkynylene group optionally substituted by a hydroxyl, etherified hydroxyl or esterified hydroxyl group; and the dotted lines signify that double bonds may be present at the 16(17)-position and/or either at the 6(7)- and 8(9)-positions or at the 7(8)-position exhibit potent effects on modulation of cell growth and differentiation, while having low calcaemic activity.