3-Oxo-4-allyl-4-aza-5α-androst-1-ene-17β-carboxylic acid | 496947-17-2

• 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: 3-Oxo-4-allyl-4-aza-5α-androst-1-ene-17β-carboxylic acid
• 英文别名: (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-6-prop-2-enyl-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxylic acid
• CAS: 496947-17-2
• 化学式: C₂₂H₃₁NO₃
• 分子量: 357.493
• InChiKey: QVGCGCRNSYNKOW-FEPXJFPZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  57.6
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• Novel 17beta-hydroxybenzoyl-4-aza-5alpha-androst-1-en-3-ones as testosterone reductase inhibitors
  申请人：MERCK & CO. INC.

  公开号：EP0462661A2

  公开（公告）日：1991-12-27

  Novel 17β-hydroxybenzoyl-4-aza-5α-androst-1-en-3-ones as testosterone reductase inhibitors of the formula: wherein R isselected from hydrogen, methyl and ethyl and R² isphenyl substituted with one or more of: -OH, -OC₁-C₄ alkyl, C₁-C₄ alkyl, -(CH₂)mH, -(CH₂)n COOR, including protected -OH, where m is 1-4, n is 1-3, and providing C₁-C₄ alkyl is only present when one of the above oxygen containing radicals is present, wherein the dotted line represents a double bond which can be present, pharmaceutically acceptable salts and esters thereof, and a pharmaceutical formulation thereof. The above compounds are active as testosterone reductase inhibitors and thus are useful topically for treatment of acne, seborrhea, female hirsutism, and systemically in treatment of benign prostatic hypertrophy.

  新型 17β-羟基苯甲酰基-4-氮杂-5α-雄甾-1-烯-3-酮作为睾酮还原酶抑制剂的配方： 式中 R 选自氢、甲基和乙基，以及 R² 是被以下一种或多种物质取代的苯基：-OH、-OC₁-C₄烷基、C₁-C₄烷基、-(CH₂)mH、-(CH₂)n COOR，包括受保护的-OH，其中 m 为 1-4，n 为 1-3，只有当存在上述含氧基之一时，才提供 C₁-C₄烷基、其中虚线代表可以存在的双键、其药学上可接受的盐和酯，以及其药物制剂。上述化合物作为睾酮还原酶抑制剂具有活性，因此可用于局部治疗痤疮、脂溢性皮炎、女性多毛症，以及全身治疗良性前列腺肥大。
• New 17beta-aminobenzoyl-4-aza-5alpha-androst-1-en-3-ones as benign prostatic hypertrophy agents
  申请人：MERCK & CO. INC.

  公开号：EP0462668A2

  公开（公告）日：1991-12-27

  New 17β-aminobenzoyl-4-aza-5α-androst-1-en-3-ones as benign prostatic hypertrophy agents of the formula: wherein R isselected from hydrogen, methyl and ethyl and R² isphenyl substituted with -N(R₃)₂, which can be protected, where R₃ is independently H or C₁-C₄ alkyl, wherein the phenyl ring can also be further substituted by C₁-C₄ alkyl, wherein the dotted line can represent a double bond, and pharmaceutically acceptable salts thereof, and a pharmaceutical formulation thereof. The above compounds are active as benigh prostatic hypertrophy therapy agents and are useful topically for the treatment of acne, seborrhea, female hirsutism, and particularly effective systemically in the treatment of benign prostatic hypertrophy.

  17β-氨基苯甲酰基-4-氮杂-5α-雄甾烷-1-烯-3-酮作为良性前列腺肥大剂的新配方： 其中 R 选自氢、甲基和乙基，以及 R²为被-N(R₃)₂取代的苯基，可被保护，其中R₃独立地为H或C₁-C₄烷基，其中苯基环也可进一步被C₁-C₄烷基取代，其中虚线可代表双键，及其药学上可接受的盐，以及其药物制剂。上述化合物作为良性前列腺肥大治疗剂具有活性，可用于局部治疗痤疮、脂溢性皮炎、女性多毛症，尤其对全身治疗良性前列腺肥大有效。
• US5138063A
  申请人：——

  公开号：US5138063A

  公开（公告）日：1992-08-11