5α,10α-epoxy-17β-hydroxy-7β-methyloestr-9(11)-en-3-one-3-ethyleneacetal | 123916-77-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5α,10α-epoxy-17β-hydroxy-7β-methyloestr-9(11)-en-3-one-3-ethyleneacetal
• 英文别名: 5alpha,10alpha-Epoxy-17beta-hydroxy-7beta-methyloestr-9(11)-en-3-one-3-ethyleneacetal；(1'R,5'S,6'S,9'S,10'S,11'S,13'R)-5',11'-dimethylspiro[1,3-dioxolane-2,15'-18-oxapentacyclo[11.4.1.01,13.02,10.05,9]octadec-2-ene]-6'-ol
• CAS: 123916-77-8
• 化学式: C₂₁H₃₀O₄
• 分子量: 346.467
• InChiKey: OUWRHBZWKFXGJE-QAGXQJJHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  25
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  51.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  17β-hydroxy-7β-methyloestr-5(10),9(11)-dien-3-one-3-ethyleneacetal 在 碳酸氢钠 、 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 生成 5α,10α-epoxy-17β-hydroxy-7β-methyloestr-9(11)-en-3-one-3-ethyleneacetal
  参考文献：
  名称：

  US4921845

  摘要：

  公开号：

文献信息

• 11-arylsteroid compounds
  申请人：Akzo N.V.

  公开号：US04921845A1

  公开（公告）日：1990-05-01

  The invention relates to new 11-arylsteroid compounds, having a strong antiprogestin and a weak or nonexistent antiglucocorticoid activity, to processes for preparing said compounds and also to pharmaceutical preparations which contain these derivatives as active constituent, characterized in that said steroids have the following formula: ##STR1## in which R.sub.1 is an aryl group with a ##STR2## group as substituent, X and Y each being separately H or a (1-4 C) hydrocarbyl group or together a (2-C) hydrocarbyl group which forms a 3- to 7-membered ring together with the nitrogen atom; R.sub.2 is hydrogen, hydroxyl, an acyloxy or an alkoxy group or a saturated or unsaturated hydrocarbyl group containing 1-8 carbon atoms, which hydrocarbyl group is provided with at least one hydroxyl, oxo, azido, cyano and/or halogen group; R.sub.3 is a hydroxyl, an acyloxy or an alkoxy group or an acyl group optionally substituted by a hydroxyl, alkoxy, acyloxy or halogen group; or R.sub.2 and R.sub.3 together form a ring system, with the proviso that if R.sub.3 is hydroxyl, R.sub.2 is not hydrogen or hydroxyl; and R.sub.4 is a methyl or ethyl group; and the .alpha.- and .beta.-bonds are indicated by dashed ( ) and wedged ( ) lines respectively.

  本发明涉及一种新的11-芳基类固醇化合物，具有强烈的抗孕激素作用和弱或不存在的抗糖皮质激素活性，以及制备这些化合物的过程和包含这些衍生物作为活性成分的制药制剂，其特征在于所述类固醇具有以下结构式：##STR1## 其中R.sub.1是带有##STR2##基团的芳基基团，X和Y分别是H或(1-4C)烃基团，或者一起是(2-C)烃基团，与氮原子一起形成3-7环，R.sub.2是氢、羟基、酰氧基或烷氧基或含有1-8个碳原子的饱和或不饱和烃基团，该烃基团上至少有一个羟基、氧代、叠氮基、氰基和/或卤素基团；R.sub.3是羟基、酰氧基或烷氧基或者是一个酰基，该酰基可以选择性地被羟基、烷氧基、酰氧基或卤素基团取代；或者R.sub.2和R.sub.3一起形成一个环系，但如果R.sub.3是羟基，则R.sub.2不是氢或羟基；R.sub.4是甲基或乙基基团；α-和β-键分别由虚线（）和实线（）表示。
• New 11-arylsteroid compounds
  申请人：AKZO N.V.

  公开号：EP0321010A1

  公开（公告）日：1989-06-21

  The invention relates to new 11-arylsteroid compounds, having a strong antiprogestin and a weak or nonexistent antiglucocorticoid activity, to processes for preparing said compounds and also to pharmaceutical preparations which contain these derivatives as active constituent, characterized in that said steroids have the following formula: in which R₁      is an aryl group with a -X group as substituent, X and Y each being separately H or a (1-4 C) hydro­carbyl group or together a (2-6 C) hydrocarbyl group which forms a 3- to 7-membered ring together with the nitrogen atom; R₂      is hydrogen, hydroxyl, an acyloxy or an alkoxy group or a saturated or unsaturated hydrocarbyl group containing 1-8 carbon atoms, which hydrocarbyl group is provided with at least one hydroxyl, oxo, azido, cyano and/or halogen group; R₃      is a hydroxyl, an acyloxy or an alkoxy group or an acyl group optionally substituted by a hydroxyl, alkoxy, acyloxy or halogen group; or R₂ and R₃ to­gether form a ring system, with the proviso that if R₃ is hydroxyl, R₂ is not hydrogen or hydroxyl; and R₄ is a methyl or ethyl group; and the α- and β-bonds are indicated by dashed (---) and wedged () lines respectively.

  本发明涉及具有较强的抗孕激素活性和较弱或不存在的抗糖皮质激素活性的新的 11-芳基类固醇化合物，涉及制备上述化合物的工艺，还涉及含有这些衍生物作为活性成分的药物制剂，其特征在于上述类固醇具有下式： 其中 R₁ 是芳基，带有 -X 基团为取代基的芳基，X 和 Y 分别为 H 或（1-4 C）烃基或（2-6 C）烃基，它们与氮原子一起构成 3-7 元环； R₂ 是氢、羟基、酰氧基或烷氧基或含有 1-8 个碳原子的饱和或不饱和烃基，该烃基上至少含有一个羟基、氧代、叠氮、氰基和/或卤素基团； R₃ 是羟基、酰氧基或烷氧基，或任选被羟基、烷氧基、酰氧基或卤素基团取代的酰基；或 R₂ 和 R₃ 共同形成一个环系统，但如果 R₃ 是羟基，则 R₂ 不是氢或羟基；以及 R₄ 是甲基或乙基； α键和β键分别用虚线（---）和楔形线（）表示。
• US4921845A
  申请人：——

  公开号：US4921845A

  公开（公告）日：1990-05-01