5α-hydroxyandrostane-3,6,17-trione | 74395-56-5

• 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
• 英文名称: 5α-hydroxyandrostane-3,6,17-trione
• 英文别名: androstane-5α-ol-3,6,17-trione；5α-hydroxyandrostan-3,6,17-trione；5-hydroxy-5α-androstane-3,6,17-trione；5-Hydroxy-5α-androstan-3,6,17-trion；5-Hydroxy-5α-androstantrion-(3.6.17)；5alpha-Hydroxyandrostane-3,6,17-trione；(5R,8R,9S,10R,13S,14S)-5-hydroxy-10,13-dimethyl-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,6,17-trione
• CAS: 74395-56-5
• 化学式: C₁₉H₂₆O₄
• 分子量: 318.413
• InChiKey: OJFIOUPQXHCHSS-WERNOVKHSA-N

物化性质

• 熔点：
  240-244 °C(Solv: ethanol (64-17-5))
• 沸点：
  489.2±45.0 °C(Predicted)
• 密度：
  1.246±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  23
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  71.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5α-hydroxyandrostane-3,6,17-trione 在 potassium tert-butylate 、 对甲苯磺酸 作用下， 以 四氢呋喃 为溶剂， 反应 8.67h， 生成 3,3:17,17-bis(ethylendioxy)-5α-hydroxy-6-methyleneandrostane
  参考文献：
  名称：

  AMINO DERIVATIVES OF ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS

  摘要：

  化合物的化学式（I），其中：所述基团如描述中所定义，可用于制备用于治疗心血管疾病，特别是心力衰竭和高血压的药物。这些化合物是Na+，K+-ATP酶活性的抑制剂。所述化合物用于制备一种药物，用于治疗由内源性欧巴因的高血压效应引起的疾病，例如在常染色体显性多囊肾病（ADPKD）中肾功能衰竭进展、妊娠期高血压和蛋白尿以及具有adducin多态性的患者中的肾功能衰竭进展。

  公开号：

  US20110053902A1
• 作为产物：
  描述：

  去氢表雄酮 在 silica gel 、 间氯过氧苯甲酸 、 pyridinium chlorochromate 作用下， 以 二氯甲烷 为溶剂， 反应 26.67h， 生成 5α-hydroxyandrostane-3,6,17-trione
  参考文献：
  名称：

  Novel approach to the synthesis of istaroxime

  摘要：

  Istaroxime 1, a novel cardiotonic agent with high efficiency and low toxicity was synthesized from dehydroepiandrosterone 2 using a novel approach that included epoxidation, ring-opening, substitution, and oximation. The new protocol without gas protection was milder than the reported approaches. The overall yield of the method was 24.1%.

  DOI：

  10.1134/s1070363217110196

文献信息

• AZAHETEROCYCLYL DERIVATIVES OF ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS
  申请人：Cerri Alberto

  公开号：US20090275542A1

  公开（公告）日：2009-11-05

  Compounds of formula (I) wherein: the groups are as defined in the description, are useful for the preparation of medicaments for the treatment of cardiovascular disorders, in particular heart failure and hypertension. The compounds are inhibitors of the enzymatic activity of the Na+, K+-ATPase. They are useful for the preparation of a medicament for the treatment of a disease caused by the hypertensive effects of endogenous ouabain, such as renal failure progression in autosomal dominant polycystic renal disease (ADPKD), preeclamptic hypertension and proteinuria and renal failure progression in patients with adducin polymorphisms.

  式(I)化合物，其中：所述基团如描述中定义的那样，对于制备治疗心血管疾病的药物，特别是心力衰竭和高血压是有用的。这些化合物是Na+，K+-ATPase酶活性的抑制剂。它们对于制备治疗内源性欧巴因引起的疾病的药物是有用的，例如：常染色体显性多囊肾病（ADPKD）中的肾功能衰竭进展、先兆子痫性高血压和蛋白尿，以及具有adducin多态性的患者的肾功能衰竭进展。
• Amino derivatives of androstanes and androstenes as medicaments for cardiovascular disorders
  申请人：Cerri Alberto

  公开号：US08609644B2

  公开（公告）日：2013-12-17

  Compounds of formula (I) wherein: the groups are as defined in the description, are useful for the preparation of medicaments for the treatment of cardiovascular disorders, in particular heart failure and hypertension. The compounds are inhibitors of the enzymatic activity of the Na+, K+-ATPase. Said compounds are used for the preparation of a medicament for the treatment of a disease caused by the hypertensive effects of endogenous ouabain, such as renal failure progression in autosomal dominant polycystic renal disease (ADPKD), preeclamptic hypertension and proteinuria and renal failure progression in patients with adducin polymorphisms.

  公式（I）的化合物，其中：所述的基团如描述中所定义，用于制备治疗心血管疾病，特别是心力衰竭和高血压的药物。这些化合物是Na+，K+-ATPase酶活性的抑制剂。所述化合物用于制备治疗由内源性欧巴因引起的疾病的药物，如常染色体显性多囊肾病（ADPKD）中的肾衰竭进展，先兆子痫性高血压和蛋白尿以及携带adducin多态性的患者的肾衰竭进展。
• Azaheterocyclyl derivatives of androstanes and androstenes as medicaments for cardiovascular disorders
  申请人：Cerri Alberto

  公开号：US08536160B2

  公开（公告）日：2013-09-17

  Compounds of formula (I) wherein: the groups are as defined in the description, are useful for the preparation of medicaments for the treatment of cardiovascular disorders, in particular heart failure and hypertension. The compounds are inhibitors of the enzymatic activity of the Na+, K+-ATPase. They are useful for the preparation of a medicament for the treatment of a disease caused by the hypertensive effects of endogenous ouabain, such as renal failure progression in autosomal dominant polycystic renal disease (ADPKD), preeclamptic hypertension and proteinuria and renal failure progression in patients with adducin polymorphisms.

  式（I）的化合物，其中：所述基团如描述中所定义，用于制备用于治疗心血管疾病，特别是心力衰竭和高血压的药物。这些化合物是Na+，K+-ATPase酶活性的抑制剂。它们用于制备治疗由内源性欧巴因引起的疾病的药物，如常染色体显性多囊肾病（ADPKD）中的肾衰竭进展，先兆子痫性高血压和蛋白尿以及具有加朵因多态性的患者的肾衰竭进展。
• Uschakow; Ljutenberg, Zhurnal Obshchei Khimii, 1939, vol. 9, p. 69,71
  作者：Uschakow、Ljutenberg

  DOI：——

  日期：——
• Dawidar, A. M.; Saleh, A. A.; Abdel-Malek, M. M., Zeitschrift fur Naturforschung, Teil B: Anorganische Chemie, Organische Chemie, 1980, vol. 35, # 1, p. 102 - 106
  作者：Dawidar, A. M.、Saleh, A. A.、Abdel-Malek, M. M.

  DOI：——

  日期：——