21-acetoxy-3β-formyloxy-pregn-5-en-20-one | 115098-53-8

• 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: 21-acetoxy-3β-formyloxy-pregn-5-en-20-one
• 英文别名: 21-Acetoxy-3β-formyloxy-pregn-5-en-20-on；3β-Formyloxy-21-acetyloxy-5-pregnen-20-one；3beta-Formyloxy-21-acetyloxy-5-pregnen-20-one；[2-[(3S,8S,9S,10R,13S,14S,17S)-3-formyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
• CAS: 115098-53-8
• 化学式: C₂₄H₃₄O₅
• 分子量: 402.531
• InChiKey: KXCSILHGDRYXQI-OHOJESAGSA-N

物化性质

• 熔点：
  172-173 °C
• 沸点：
  503.9±50.0 °C(Predicted)
• 密度：
  1.15±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  69.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  21-acetoxy-3β-formyloxy-pregn-5-en-20-one 在 aluminum oxide 作用下， 生成 21-乙酰氧基孕烯醇酮
  参考文献：
  名称：

  Steroids. LXXXVIII.¹ A New Synthesis of Desoxycorticosterone Acetate and of 16-Dehydro-desoxycorticosterone Acetate

  摘要：

  DOI：

  10.1021/ja01575a055
• 作为产物：
  描述：

  3β-formyloxy-21-iodo-pregna-5,16-dien-20-one 在 palladium on activated charcoal 、 乙酸乙酯 作用下， 生成 21-acetoxy-3β-formyloxy-pregn-5-en-20-one
  参考文献：
  名称：

  Steroids. LXXXVIII.¹ A New Synthesis of Desoxycorticosterone Acetate and of 16-Dehydro-desoxycorticosterone Acetate

  摘要：

  DOI：

  10.1021/ja01575a055

文献信息

• Sulphur analogues of 21-hydroxy-6,19-oxidoprogesterone (21oh-6op) for treating excess of glucocorticoids
  申请人：——

  公开号：US20040029846A1

  公开（公告）日：2004-02-12

  The present invention is related to novel 21-hydroxy-6,19-oxidoprogesterone (21OH-6OP) analogues, their use as antiglucocorticoids for the treatment and/or prophylaxis of diseases associated to an excess of glucocorticoids. In particular, the invention relates to the use of novel 21-hydroxy-6,19-oxidoprogesterone (21OH-6OP) analogues having the formula FORMULAwherein X is S, SO and SO2, and R is either M or OH, for treating Cushing's syndrome, iatrogenic hypercortisolism or depression. Also the present invention is related to methods of preparing the novel 21-hydroxy-6,19-oxidoprogesterone (21OH-6OP) analogues. 1

  本发明涉及新型21-羟基-6,19-氧代孕酮（21OH-6OP）类似物，其用作抗糖皮质激素治疗和/或预防与糖皮质激素过量相关的疾病。具体来说，本发明涉及使用具有以下公式的新型21-羟基-6,19-氧代孕酮（21OH-6OP）类似物，其中X为S、SO和SO2，R为M或OH，用于治疗库欣综合征、医源性高皮质醇血症或抑郁症。此外，本发明还涉及制备新型21-羟基-6,19-氧代孕酮（21OH-6OP）类似物的方法。
• Method for the preparation of 21-hydroxy-6,19-oxidoprogesterone (21oh-6op)
  申请人：——

  公开号：US20040092733A1

  公开（公告）日：2004-05-13

  The present invention relates to a novel method for preparing 21-hydroxy-6,19-oxidopro-gesterone (21OH-6OP) and/or its 21-acetate, 21-propionate, 21-hemisuccinate, 21-phosphate, 21-oleate derivatives. 21OH-6OP and its ester derivatives are antiglucocorticoids for the treatment or prophylaxis of diseases associated to an excess of glucocorticoids, in particular for treating Cushing's syndrome, iatrogenic hypercortisolism or depression.

  本发明涉及一种新的制备21-羟基-6,19-氧代孕酮（21OH-6OP）及/或其21-乙酸酯、21-丙酸酯、21-半琥珀酸酯、21-磷酸酯、21-油酸衍生物的方法。21OH-6OP及其酯类衍生物是抗糖皮质激素，用于治疗或预防与糖皮质激素过多有关的疾病，特别是用于治疗库欣综合症、医源性高皮质醇血症或抑郁症。
• Method for the preparation of 21-hydroxy-6,19-oxidoprogesterone (21OH-6OP)
  申请人：Burton Gerardo

  公开号：US20050277769A1

  公开（公告）日：2005-12-15

  A 21-Hydroxy-6,19-oxidoprogesterone derivative of Formula (1): where R is —C(O)—CH 2 CH 3 , —C(O)—(CH 2 ) 2 —COOH, —C(O)—(CH 2 ) 7 —CH═CH—(CH 2 ) 7 —COOH, or —C(O)—PO 3 Na 2 .

  一种21-羟基-6,19-氧化孕酮的衍生物，化学式(1)如下： 其中，R为—C(O)— CH3、—C(O)—(CH2)2—COOH、—C(O)—( )7—CH═CH—( )7—COOH或—C(O)—PO3Na2。
• METHOD FOR THE PREPARATION OF 21-HYDROXY-6,19-OXIDOPROGESTERONE (21OH-6OP)
  申请人：BURTON Gerardo

  公开号：US20090216008A1

  公开（公告）日：2009-08-27

  A method of preparing 21-hydroxy-6,19-oxidoprogesterone, or an acylated or phosphorlated version thereof.

  一种制备21-羟基-6,19-氧代孕酮或其酰化或磷酸化衍生物的方法。
• Sulphur analogues of 21-hydroxy-6,19-oxidoprogesterone (21OH-6OP) for treating excess of glucocorticoids
  申请人：Burton Gerardo

  公开号：US20050222104A1

  公开（公告）日：2005-10-06

  The present invention is related to novel 21-hydroxy-6,19-oxidoprogesterone (21OH-6OP) analogues, their use as antiglucocorticoids for the treatment and/or prophylaxis of disease associated to an excess of glucocorticoids. In particular, the invention relates to the use of novel 21-hydroxy-6,19-oxidoprogesterone (21OH-6OP) analogues for treating Cushing's syndrome, iatrogenic hypercortisolism or depression. Also the present invention is related to methods of preparing the novel 21-hydroxy-6,19-oxidoprogesterone (21OH-6OP) analogues.

  本发明涉及新型 21-羟基-6,19-氧化黄体酮（21OH-6OP）类似物，以及它们作为抗糖皮质激素用于治疗和/或预防与糖皮质激素过量有关的疾病的用途。特别是，本发明涉及新型 21-羟基-6,19-氧化孕酮（21OH-6OP）类似物用于治疗库欣综合征、先天性皮质醇过多症或抑郁症的用途。本发明还涉及新型 21-羟基-6,19-氧化黄体酮（21OH-6OP）类似物的制备方法。