(8S,20S)-des-A,B-20-(4-hydroxybutyl)pregnan-8-ol | 913977-77-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (8S,20S)-des-A,B-20-(4-hydroxybutyl)pregnan-8-ol
• 英文别名: (20S)-de-A,B-20-(4-hydroxybutyl)pregnan-8β-ol；(1R,3aR,4S,7aR)-1-[(2S)-6-hydroxyhexan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
• CAS: 913977-77-2
• 化学式: C₁₆H₃₀O₂
• 分子量: 254.413
• InChiKey: KDZTVJJAPFWRHC-XFIYOXNOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (8S,20S)-des-A,B-20-(4-hydroxybutyl)pregnan-8-ol 在 2,6-二甲基吡啶 、 重铬酸吡啶 、 4-甲基苯磺酸吡啶 、 苯基锂 作用下， 以 四氢呋喃 、 乙醚 、 二氯甲烷 、 环己烷 为溶剂， 反应 42.5h， 生成 [(5S)-5-[(1R,3aS,4E,7aR)-4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]hexoxy]-tert-butyl-dimethylsilane
  参考文献：
  名称：

  WO2006/119309

  摘要：

  公开号：
• 作为产物：
  描述：

  (8S,20S)-des-A,B-20-[(3’-iso-propoxycarbonyl)propyl]pregnan-8-ol 在 lithium aluminium tetrahydride 、 水 、 氯化铵 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 以96%的产率得到(8S,20S)-des-A,B-20-(4-hydroxybutyl)pregnan-8-ol
  参考文献：
  名称：

  WO2006/119309

  摘要：

  公开号：

文献信息

• 26- and 27-Methyl groups of 2-substituted, 19-nor-1α,25-dihydroxylated vitamin D compounds are essential for calcium mobilization in vivo
  作者：Pawel Grzywacz、Lori A. Plum、Margaret Clagett-Dame、Hector F. DeLuca

  DOI：10.1016/j.bioorg.2013.01.001

  日期：2013.4

  Twelve new analogs of 19-nor-1 alpha,25-dihydroxyvitamin D-3 6-17, were prepared by a multi-step procedure from known alcohols 18 and 19. We have examined the influence of removing two methyl groups located at C-25, as well as the 25-hydroxy group, on the biological in vitro and in vivo biological activity. Surprisingly, removal of the 26- and 27-methyl groups from either the 2 alpha-methyl or 2-methylene-19-nor-1 alpha,25-dihydroxyvitamin D-3 reduced vitamin D receptor binding, HL-60 differentiation, and 25-hydroxylase transcription in vitro only slightly to moderately (compounds 6-13). However, these compounds were devoid of in vivo bone mobilization activity and had markedly reduced activity on intestinal calcium transport. The analogs 14-17 with a 2 beta-methyl substitution had little or no activity in vitro and in vivo as expected from previous work. (C) 2013 Elsevier Inc. All rights reserved.
• 19,26,27-TRINOR-1alpha,25-DIHYDROXYVITAMIN D3 COMPOUNDS
  申请人：DeLuca F. Hector

  公开号：US20070219168A1

  公开（公告）日：2007-09-20

  Compounds of formula 1 are provided where X 1 , X 2 , and X 3 are independently selected from H or hydroxy protecting groups, and R 1 and R 2 have the definitions provided herein. Such compounds may be used in preparing pharmaceutical compositions and are useful in treating a variety of biological conditions.
• US7241909B2
  申请人：——

  公开号：US7241909B2

  公开（公告）日：2007-07-10
• US8030295B2
  申请人：——

  公开号：US8030295B2

  公开（公告）日：2011-10-04