(17S)-3β-hydroxy-21(20=>17)-abeo-pregnen-(5)-oic acid-(20)-methyl ester | 25352-87-8

• 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: (17S)-3β-hydroxy-21(20=>17)-abeo-pregnen-(5)-oic acid-(20)-methyl ester
• 英文别名: 3β-Hydroxy-17α-methyl-androsten-(5)-carbonsaeure-(17β)-methylester；(17S)-3β-Hydroxy-21(20=>17)-abeo-pregnen-(5)-saeure-(20)-methylester；methyl (3S,8R,9S,10R,13S,14S,17S)-3-hydroxy-10,13,17-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17-carboxylate
• CAS: 25352-87-8
• 化学式: C₂₂H₃₄O₃
• 分子量: 346.51
• InChiKey: PNAWELRGKCOMCV-ANWZHMNCSA-N

物化性质

• 沸点：
  441.7±45.0 °C(Predicted)
• 密度：
  1.11±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (17S)-3β-hydroxy-21(20=>17)-abeo-pregnen-(5)-oic acid-(20)-methyl ester 在 四氯苯醌 作用下， 以 溶剂黄146 、 叔丁醇 为溶剂， 生成 17α-Methyl-21-fluoro-4,6-pregnadien-3.20-dion
  参考文献：
  名称：

  17α-甲基孕酮衍生物的合成：一类新型口服活性孕激素

  摘要：

  据报道，通过位阻格氏反应制备了一系列新的17α-甲基孕酮衍生物。

  DOI：

  10.1016/s0040-4020(01)98530-8
• 作为产物：
  描述：

  3β-acetoxy-5,6β,17-tribromo-5α-pregnan-20-one 在 甲醇 、 氢氧化钾 、 potassium hydrogencarbonate 、 potassium iodide 作用下， 生成 (17S)-3β-hydroxy-21(20=>17)-abeo-pregnen-(5)-oic acid-(20)-methyl ester
  参考文献：
  名称：

  Acute arterial thrombosis with antithrombin III deficiency in nephrotic syndrome: Report of a case

  摘要：

  Nephrotic syndrome frequently causes venous thromboembolic complications. Arterial thrombosis has rarely been reported and is mainly observed in children. Only six cases of lower extremity arterial thrombosis in adults have been reported in the literature. The outcome in these cases was unsatisfactory because of the high rates of limb loss and recurrence of thrombosis. We report successful treatment of a 39-year-old man who suffered from right lower extremity arterial thrombosis associated with decreased levels of serum antithrombin III. He was admitted to our hospital with severe pain in his right foot. No pulse was palpable in his right dorsalis pedis or posterior tibial arteries. His right foot was cold and mottled, with a reduced sensation and motor activity. The laboratory data revealed a serum total protein concentration of 3.9 g/dl and an albumin concentration of 1.5 g/dl. The coagulation profile showed a fibrinogen level of 879 mg/dl and antithrombin III value of 9.5%. Right lower extremity arteriography showed a complete occlusion of the right deep femoral artery and popliteal artery, and a filling defect in the common femoral artery. An emergency thrombectomy was performed under general anesthesia. The patient was treated successfully, and surgical treatment was followed by anticoagulant therapy with 1 000 units of antithrombin III. A renal biopsy revealed histologic evidence of minimal change of glomerulonephritis. He was discharged 3 months later, and no recurrence of thrombosis has yet been observed.

  DOI：

  10.1007/s005950070110