(3beta,5alpha)-3-羟基胆甾烷-7-酮 | 7591-17-5

• 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
• 中文名称: (3beta,5alpha)-3-羟基胆甾烷-7-酮
• 英文名称: 26-Hydroxycholestan-7-one
• 英文别名: (8R,9S,10S,13R,14S,17R)-17-[(2R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-7-one
• CAS: 7591-17-5
• 化学式: C₂₇H₄₆O₂
• 分子量: 402.7
• InChiKey: NPIAPVQJXMWQKS-ZIFSMLSUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• [EN] THERAPEUTICS TARGETING MUTANT ADENOMATOUS POLYPOSIS COLI (APC) FOR THE TREATMENT OF CANCER<br/>[FR] AGENTS THÉRAPEUTIQUES CIBLANT LA POLYPOSE ADÉNOMATEUSE COLIQUE (APC) MUTANTE POUR LE TRAITEMENT DU CANCER
  申请人：UNIV TEXAS

  公开号：WO2020117972A1

  公开（公告）日：2020-06-11

  The present disclosure reports an extensive medicinal chemistry evaluation of a large collection of Truncating APC-Selective Inhibitor (TASIN) compounds. The compounds were evaluated for activity against a series of colon cancer cell lines with and without truncating APC-mutations, as well as in an isogenic cell line pair reporting on the status of APC- dependent selectivity. A number of very potent and selective compounds were identified, including compounds with good metabolic stability and PK properties. The small molecules reported herein thus represent a first-in-class genotype-selective series that specifically target ape mutations present in the vast majority of CRC patients, and therefore serves as a translational platform towards a potential targeted therapy for colon cancer.

  本披露报告了对大量截断APC-选择性抑制剂（TASIN）化合物的广泛药物化学评估。这些化合物针对一系列结肠癌细胞系进行了活性评估，包括具有截断APC突变和不具有截断APC突变的细胞系，以及在报告APC依赖性选择性状况的同源细胞系对。鉴定了一些非常有效和选择性的化合物，包括具有良好代谢稳定性和药代动力学性质的化合物。因此，本文报道的小分子代表了一种首创的基因型选择性系列，专门针对存在于绝大多数结直肠癌患者中的猿类突变，因此可作为一个转化平台，朝着结肠癌的潜在靶向治疗迈进。
• Compositions comprising cannabidiol and second therapeutic agents for the treatment of cancer
  申请人：JAY PHARMA, INC.

  公开号：US11090275B2

  公开（公告）日：2021-08-17

  The invention provides synergistic combinations of cannabidiol (CBD) and a second therapeutic agent, such as one or more ChEH/AEBS inhibitors, a naphthoquinone or a derivative thereof, or any combination thereof, effective for the treatment cancer. Compositions containing same and methods of use of same are described.

  本发明提供了大麻二酚（CBD）与第二种治疗剂（如一种或多种 ChEH/AEBS 抑制剂、萘醌或其衍生物或其任意组合）的协同组合，可有效治疗癌症。本文描述了含有相同成分的组合物及其使用方法。
• METHODS FOR INHIBITING TGF-
  申请人：Auxagen, Inc.

  公开号：EP2192904A1

  公开（公告）日：2010-06-09
• METHODS FOR INHIBITING TGF-beta
  申请人：Auxagen, Inc.

  公开号：EP2192904B1

  公开（公告）日：2016-08-17
• COMPOSITIONS COMPRISING CANNABIDIOL AND SECOND THERAPEUTIC AGENTS FOR THE TREATMENT OF CANCER
  申请人：Jay Pharma, Inc.

  公开号：EP3368024A1

  公开（公告）日：2018-09-05