4β-hydroxywithanolide E | 54334-04-2

• 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: 4β-hydroxywithanolide E
• 英文别名: 4β-Hydroxywithanolid；(2R,6S,7R,9R,12R,15S,16S)-15-[(1S)-1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)-1-hydroxyethyl]-6,12,15-trihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
• CAS: 54334-04-2；91685-16-4
• 化学式: C₂₈H₃₈O₈
• 分子量: 502.605
• InChiKey: UPBUGICUKQIKTJ-LDMQTRCPSA-N

物化性质

• 溶解度：
  氯仿：可溶；乙醇：可溶；甲醇：可溶

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  36
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  137
• 氢给体数：
  4
• 氢受体数：
  8

文献信息

• Method of sensitizing cancer cells to the cytotoxic effects of apoptosis inducing ligands in cancer treatment
  申请人：The United States of America, as represented by the Secretary, Department of Health and Human Services

  公开号：US10849912B2

  公开（公告）日：2020-12-01

  Disclosed is a method of enhancing the response of cancer cells in a mammal to treatment with an apoptosis inducing ligand, which method comprises contacting the cancer cells with an apoptosis inducing ligand in conjunction with an effective amount of a compound of the formula: (I), wherein R1-R14 are as described herein. Also disclosed is a method of inducing apoptosis in cancer cells in a mammal, comprising contacting the cancer cells with the compound described herein and also contacting the cancer cells with an apoptosis inducing ligand, whereby apoptosis is induced in the cancer cells.

  本发明公开了一种增强哺乳动物体内癌细胞对凋亡诱导配体治疗反应的方法，该方法包括使癌细胞与凋亡诱导配体以及有效量的式化合物接触：(I)，其中 R1-R14 如本文所述。还公开了一种诱导哺乳动物体内癌细胞凋亡的方法，包括使癌细胞与本文所述化合物接触，同时使癌细胞与凋亡诱导配体接触，从而诱导癌细胞凋亡。
• METHOD OF SENSITIZING CANCER CELLS TO THE CYTOTOXIC EFFECTS OF APOPTOSIS INDUCING LIGANDS IN CANCER TREATMENT
  申请人：The United States of America, as represented by the Secretary, Department of Healthe and Human

  公开号：US20190046543A1

  公开（公告）日：2019-02-14

  Disclosed is a method of enhancing the response of cancer cells in a mammal to treatment with an apoptosis inducing ligand, which method comprises contacting the cancer cells with an apoptosis inducing ligand in conjunction with an effective amount of a compound of the formula: (I), wherein R 1 -R 14 are as described herein. Also disclosed is a method of inducing apoptosis in cancer cells in a mammal, comprising contacting the cancer cells with the compound described herein and also contacting the cancer cells with an apoptosis inducing ligand, whereby apoptosis is induced in the cancer cells.