N-((R)-5-((1R,3aS,1aR,E)-4-(2-((3R,5R)-3,5-dihydroxycyclohexylidene)ethylidene)-7a-methyl-octahydro-7H-inden-1-yl)hexyl)ethanesulfonamide | 1188931-69-2

• 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: N-((R)-5-((1R,3aS,1aR,E)-4-(2-((3R,5R)-3,5-dihydroxycyclohexylidene)ethylidene)-7a-methyl-octahydro-7H-inden-1-yl)hexyl)ethanesulfonamide
• 英文别名: N-[(5R)-5-[(1R,3aS,4E,7aR)-4-[2-[(3R,5R)-3,5-dihydroxycyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]hexyl]ethanesulfonamide
• CAS: 1188931-69-2
• 化学式: C₂₆H₄₅NO₄S
• 分子量: 467.714
• InChiKey: HKJVPENUCWFEBV-MRLVZBOJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  32
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  95
• 氢给体数：
  3
• 氢受体数：
  5

文献信息

• [EN] HYBRID MOLECULES HAVING MIXED VITAMIN D RECEPTOR AGONISM AND HISTONE DEACETYLASE INHIBITORY PROPERTIES<br/>[FR] MOLÉCULES HYBRIDES ASSOCIANT AUX PROPRIÉTÉS D'AGONISME DU RÉCEPTEUR DE LA VITAMINE D, DES PROPRIÉTÉS D'INHIBITION DE L'HISTONE DÉSACÉTYLASE
  申请人：UNIV MCGILL

  公开号：WO2009117831A1

  公开（公告）日：2009-10-01

  Hybrid molecules comprising a vitamin D receptor agonist moiety and an HDAC inhibitor moiety are described herein. The HDAC inhibitor moiety can be derived from an HDAC inhibitor comprising a functionality selected from the group consisting of an N-hydroxyformate, a thioglycolate amide, a glycinamide, a bromoacetamide, a sulphonamide, a sulfamide, an alpha-keto ester or amide, or an orthoaminoanilide These hybrid molecules can be used in the treatment of conditions such as bacterial infections, cancer, inflammation and auto-immune diseases or for the induction of wound healing. Specific hybrid molecules of the present invention. have the following structures, Formula (I) and Formula (II).