3β-acetoxy-5β.14β-androstane-17β-carboxylic acid methyl ester | 2456-49-7

• 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: 3β-acetoxy-5β.14β-androstane-17β-carboxylic acid methyl ester
• 英文别名: 3β-acetoxy-5β.9β.14β-androstane-17β-carboxylic acid methyl ester(?)；3α-acetoxy-5β-androstane-17β-carboxylic acid methyl ester；3β-acetoxy-5α.14β-androstane-17α-carboxylic acid methyl ester；3β-Acetoxy-5α.14β-androstan-17α-carbonsaeure-methylester；3β-Acetoxy-21-nor-5α.14β.17βH-pregnansaeure-(20)-methylester
• CAS: 2456-49-7；3330-50-5；3330-51-6；74497-93-1；85611-22-9；85611-24-1；85611-25-2；85611-26-3；85611-27-4；95720-70-0；95720-71-1；96645-92-0；112317-36-9
• 化学式: C₂₃H₃₆O₄
• 分子量: 376.536
• InChiKey: HZUUHCXBSGFHDC-CVUFKTFRSA-N

物化性质

• 熔点：
  124-126 °C
• 沸点：
  440.2±18.0 °C(Predicted)
• 密度：
  1.10±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.75
• 重原子数：
  27.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  3β-acetoxy-5β.14β-androstane-17β-carboxylic acid methyl ester 在 氢氧化钾 作用下， 生成 3-β-HYDROXY-5-α-ANDROSTANE-17-β-CARBOXYLIC ACID
  参考文献：
  名称：

  Tissue and Blood Levels of Zinc, Copper, and Magnesium in Nitric Oxide Synthase Blockade-Induced Hypertension

  摘要：

  The aim of this study was to determine the levels of tissue and blood zinc (Zn), copper (Cu), magnesium (Mg) in nitric oxide (NO) synthase blockade-induced hypertension. A group of albino rats received a NO synthase inhibitor, N-G-nitro-L-arginine-methyl ester (L-NAME, 60 mg/kg/d) in their drinking water for 21 d. L-NAME intake caused a progressive rise in this group's resting mean arterial blood pressure compared to a control group (p < 0.01). There were no differences between the groups with regard to tissue and blood levels of Zn or Cu; however, Mg concentrations were significantly lower in the hypertensive rats' erythrocytes (20.2% reduction from control levels), cerebral cortex (17.0%), heart (9.1%), renal cortex (12%), renal medulla (16.7%), and in the tissues of the caval vein (23.7%), mesenteric artery (29.8%), renal artery (18.4%), and renal vein (22.1%). There were no significant Mg concentration changes in the hypertensive group's plasma, cerebellum, liver, duodenum, or aortal tissue. These findings suggest that Mg depletion may play a role in the blood pressure rise that occurs in the model of chronic NO synthase inhibition-induced hypertension.

  DOI：

  10.1385/bter:77:2:97
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 溶剂黄146 、 铂 作用下， 生成 3β-acetoxy-5β.14β-androstane-17β-carboxylic acid methyl ester
  参考文献：
  名称：

  Tissue and Blood Levels of Zinc, Copper, and Magnesium in Nitric Oxide Synthase Blockade-Induced Hypertension

  摘要：

  The aim of this study was to determine the levels of tissue and blood zinc (Zn), copper (Cu), magnesium (Mg) in nitric oxide (NO) synthase blockade-induced hypertension. A group of albino rats received a NO synthase inhibitor, N-G-nitro-L-arginine-methyl ester (L-NAME, 60 mg/kg/d) in their drinking water for 21 d. L-NAME intake caused a progressive rise in this group's resting mean arterial blood pressure compared to a control group (p < 0.01). There were no differences between the groups with regard to tissue and blood levels of Zn or Cu; however, Mg concentrations were significantly lower in the hypertensive rats' erythrocytes (20.2% reduction from control levels), cerebral cortex (17.0%), heart (9.1%), renal cortex (12%), renal medulla (16.7%), and in the tissues of the caval vein (23.7%), mesenteric artery (29.8%), renal artery (18.4%), and renal vein (22.1%). There were no significant Mg concentration changes in the hypertensive group's plasma, cerebellum, liver, duodenum, or aortal tissue. These findings suggest that Mg depletion may play a role in the blood pressure rise that occurs in the model of chronic NO synthase inhibition-induced hypertension.

  DOI：

  10.1385/bter:77:2:97

文献信息

• Über Steroide und Sexualhormone. 170. Mitteilung. Synthese von 14-Allo-17-iso-desoxy-corticosteron-acetat
  作者：H. Heusser、Nelly Frick、Pl. A. Plattner

  DOI：10.1002/hlca.19500330519

  日期：——

  Es wird ein neues isomeres Desoxy-corticosteron-acetat beschrieben, das sich vom natürlichen Hormon durch cis-Verknüpfung der Ringe C und D und durch Isomerie am Kohlenstoffatom 17 unterscheidet.

  描述了一种新的异构体乙酸脱氧皮质酮乙酸酯，它与天然激素的区别在于C和D环的顺式键合以及碳原子17处的异构。
• Über Steroide und Sexualhormone. (136. Mitteilung). Synthese von 14-Oxy-Steroiden II; Verbindungen der Allo-pregnanolon-Reihe
  作者：Pl. A. Plattner、L. Ruzicka、H. Heusser、E. Angliker

  DOI：10.1002/hlca.19470300148

  日期：1947.2.1
• Konfiguration des Periplogenins und desallo-Periplogenins
  作者：P. Speiser、T. Reichstein

  DOI：10.1002/hlca.19470300732

  日期：1947.12.1
• Teilsynthese des 14-iso-17-iso-Allopregnans und seine Identifizierung mit Diginan. Glykoside und Aglykone
  作者：J. Press、T. Reichstein

  DOI：10.1002/hlca.19470300729

  日期：1947.12.1