7α-acetylthioprogesterone | 19953-69-6

• 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: 7α-acetylthioprogesterone
• 英文别名: Org 33718-0；7α-acetylthio-4-pregnene-3,20-dione；S-[(7R,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-yl] ethanethioate
• CAS: 19953-69-6
• 化学式: C₂₃H₃₂O₃S
• 分子量: 388.571
• InChiKey: BAZRWKGVRLQMMW-HKKOPPDYSA-N

物化性质

• 熔点：
  184-186 °C(Solv: acetone (67-64-1); ligroine (8032-32-4))
• 沸点：
  526.2±50.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  76.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (8R,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one 、 硫代乙酸 生成 7α-acetylthioprogesterone
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• Carbon-13 nuclear magnetic resonance studies of spironolactone and several related steroids
  作者：Robert J. Highet、Terrence R. Burke、William F. Trager、Lance R. Pohl、Raymond H. Menard、Anne Marie Taburet、James R. Gillette

  DOI：10.1016/0039-128x(80)90097-5

  日期：1980.2

  The 13C chemical shifts for all the carbon atoms is spironolactone have been assigned. Assignments for nine additional steroids which include the C-7 beta isomer of spironolactone, its C-7 thiol hydrolysis product, the 7 alpha-thioacetate derivative of testosterone and its thiol hydrolysis product are also reported.

  所有碳原子的13 C化学位移为螺内酯。还报告了另外九种类固醇的赋值，其中包括螺内酯的C-7β异构体，其C-7硫醇水解产物，睾丸激素的7α-硫代乙酸酯衍生物及其硫醇水解产物。
• ——
  作者：ULICK S.

  DOI：——

  日期：——
• ANTI MINERALOCORTICOID THERAPY OF INFECTION
  申请人：Prendergast, Patrick T.

  公开号：EP1940414A2

  公开（公告）日：2008-07-09
• Anti Mineralocorticoid Therapy of Infection
  申请人：Prendergast Patrick T.

  公开号：US20090053294A1

  公开（公告）日：2009-02-26

  Antimineralocorticoid compounds are disclosed for use in the prophylaxis and therapy of viral infections, especially the retroviral infection by HIV. These compounds can be administered alone or in combination with conventional anti-viral agents or anti-sense mineralocorticoid Steroid ReceptorNA or DNA mutants of heat shock proteins.
• USE OF ANTAGONISTS TO THE NUCLEAR STEROID RECEPTOR TO INHIBIT CORONAVIRUSES
  申请人：Spectral Analytics, Inc.

  公开号：US20210299143A1

  公开（公告）日：2021-09-30

  Compositions including at least one nuclear steroid family (NSF) receptor antagonist for the treatment or prevention of a coronavirus infection, such as SARS-CoV-2, and for the treatment of symptoms resulting from such infection. Also provided herein are methods of administering such compounds to a patient, either in a combination pharmaceutical formulation or in separate pharmaceutical formulations, to treat or prevent viral infections, including viral infections from coronaviruses such as SARS-CoV-2. Treatment decreases a viral load in a subject and/or may ameliorate symptoms associated with or produced by viral infection. Various administration modalities and mechanisms may be selected depending upon a condition of a patient and the patient's ability to be administered via a selected modality.