17β-acetoxy-5α-androstan-3-one | 18642-28-9

• 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: 17β-acetoxy-5α-androstan-3-one
• 英文别名: dihydrotestosterone acetate；[(8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate
• CAS: 18642-28-9
• 化学式: C₂₁H₃₂O₃
• 分子量: 332.483
• InChiKey: ILCTUFVQFCIIDS-AEBCAVJNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  17β-acetoxy-5α-androstan-3-one 在 platinum(IV) oxide 2,6-二叔丁基-4-甲基吡啶 、 氢气 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 25.0 ℃ 、101.33 kPa 条件下， 生成 Androstan-17beta-ol, acetate
  参考文献：
  名称：

  烯醇三氟甲磺酸酯的氢解；一种将酮还原为亚甲基化合物的新方法

  摘要：

  烯醇三氟甲烷磺酸酯（烯醇三氟甲磺酸酯）的氢解反应可高收率地得到烃。因此，酮可以在温和的条件下通过两步过程转化为相应的亚甲基化合物。

  DOI：

  10.1016/s0040-4039(00)97549-x

文献信息

• Assays for screening activity of modulators of members of the hydroxy steroid (17-beta) dehydrogenase (HSD17B) family
  申请人：Regeneron Pharmaceuticals, Inc.

  公开号：US11479802B2

  公开（公告）日：2022-10-25

  Screening methods as well as kits for identifying modulators of hydroxysteroid (17-beta) dehydrogenase (HSD17B) family member proteins, such as HSD17B13, are provided. The methods comprise screening molecules for their capacity to modulate the HSD17B family member protein, including inhibiting the HSD17B family member protein, as measured by substrate depletion, product concentration from the HSD17B family member protein substrate conversion or NADH concentration, levels of labeled substrate, luciferin light emission, or combinations thereof. Inhibitors of HSD17B family member proteins identified through the screening methods may be used to treat liver diseases, disorders, or conditions in which the HSD17B family member protein plays a role.

  本发明提供了用于鉴定羟基类固醇（17-beta）脱氢酶（HSD17B）家族成员蛋白（如 HSD17B13）调节剂的筛选方法和试剂盒。这些方法包括筛选分子，以确定其调节 HSD17B 家族成员蛋白的能力，包括抑制 HSD17B 家族成员蛋白的能力，通过底物耗竭、HSD17B 家族成员蛋白底物转化产物浓度或 NADH 浓度、标记底物水平、荧光素发光或其组合来测量。通过筛选方法鉴定的 HSD17B 家族成员蛋白的抑制剂可用于治疗 HSD17B 家族成员蛋白起作用的肝脏疾病、失调或病症。
• STEREOISOMETRICALLY PURE 17-ALPHA-ETHYNYL-ESTRA-2-EN-17BETA-OL AND ESTERS THEREOF
  申请人：SRI INTERNATIONAL

  公开号：EP0190149B1

  公开（公告）日：1989-12-13
• DETECTION OF MEMBRANE ANDROGEN RECEPTOR (MAR) AGENTS
  申请人：Medexis S.A.

  公开号：EP2008099A2

  公开（公告）日：2008-12-31
• ASSAYS FOR SCREENING ACTIVITY OF MODULATORS OF MEMBERS OF THE HYDROXYSTEROID (17-BETA) DEHYDROGENASE (HSD17B) FAMILY
  申请人：Regeneron Pharmaceuticals, Inc.

  公开号：EP3610029A1

  公开（公告）日：2020-02-19
• DETECTION OF MEMBRANE ANDROGEN RECEPTOR (mAR) AGENTS
  申请人：Bacopoulos Nikolas

  公开号：US20090104122A1

  公开（公告）日：2009-04-23

  Disclosed are methods to detect agents that modulate a membrane androgen receptor (mAR). In one embodiment, the invention provides a method to detect and optionally identify mAR binding ligands. One assay according to the invention detects agents that selectively bind the mAR relative to binding to the classical intracellular androgen receptor (iAR or AR). The invention has a wide spectrum of useful applications including providing a method of screening libraries for chemical entities that preferentially bind the mAR.