[2-[2-[[(3S,8R,10R,13S,14S,16S,17S)-3,17-dihydroxy-10,13-dimethyl-17-[(2S)-6-methyl-3-oxoheptan-2-yl]-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-16-yl]oxy]-5-hydroxy-3-methyloxan-4-yl]oxy-4-hydroxy-5-(4-nitrophenoxy)carbonyloxyoxan-3-yl] 4-methylbenzoate

• 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-[2-[[(3S,8R,10R,13S,14S,16S,17S)-3,17-dihydroxy-10,13-dimethyl-17-[(2S)-6-methyl-3-oxoheptan-2-yl]-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-16-yl]oxy]-5-hydroxy-3-methyloxan-4-yl]oxy-4-hydroxy-5-(4-nitrophenoxy)carbonyloxyoxan-3-yl] 4-methylbenzoate
• 化学式: C53H71NO16
• 分子量: 978.1
• InChiKey: YKFXLBXIWZMCPY-YKKCAZDMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  70
• 可旋转键数：
  16
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  243
• 氢给体数：
  4
• 氢受体数：
  16

文献信息

• OSW-1 ANALOGS AND CONJUGATES, AND USES THEREOF
  申请人：Shair Matthew D.

  公开号：US20140135279A1

  公开（公告）日：2014-05-15

  Provided are a number of compounds structurally related to OSW-1, a natural compound that binds OSBPs. Also provided are pharmaceutical compositions comprising the OSW-1 analogs, as well as methods for use of these OSW-1 analogs, or pharmaceutically acceptable salts, enantiomers, or stereoisomers thereof in the treatment of atherosclerosis. Alzheimer's disease, and cancer, including p21-deficient cancer. Conjugates of OSW-1 analogs with monoclonal antibodies, including monoclonal antibodies targeted to cancer cells, are also provided. Also provided are pharmaceutical compositions comprising the conjugates, as well as methods for use of these conjugates, in the treatment of cancer, including p21-deficient cancer.

  提供了一些结构与OSW-1相似的化合物，OSW-1是一种与OSBPs结合的天然化合物。还提供了包含OSW-1类似物的制药组合物，以及使用这些OSW-1类似物或其药学上可接受的盐、对映体或立体异构体治疗动脉粥样硬化、阿尔茨海默病和癌症，包括p21缺陷癌症的方法。还提供了与单克隆抗体结合的OSW-1类似物共轭物，包括针对癌细胞的单克隆抗体。还提供了包含这些共轭物的制药组合物，以及使用这些共轭物治疗癌症，包括p21缺陷癌症的方法。
• US9790253B2
  申请人：——

  公开号：US9790253B2

  公开（公告）日：2017-10-17