3-Oxo-4-phenyl-4-aza-5α-androst-1-ene-17β-carboxylic acid | 496947-19-4

• 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-phenyl-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-phenyl-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxylic acid
• CAS: 496947-19-4
• 化学式: C₂₅H₃₁NO₃
• 分子量: 393.526
• InChiKey: RVGQMJMDHHLKNY-QKONGSNMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  57.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  methyl 3-oxo-4-phenyl-4-aza-5α-androst-1-ene-17p-carboxylate 、 碘苯 、 4-氮杂-5alpha-雄甾-1-烯-3-酮-17beta-羧酸甲酯 生成 3-Oxo-4-phenyl-4-aza-5α-androst-1-ene-17β-carboxylic acid
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• Androgen receptor modulators and methods for use thereof
  申请人：——

  公开号：US20030065004A1

  公开（公告）日：2003-04-03

  Compounds of structural formula (I) as herein defined are disclosed as useful in a method for modulating the androgen receptor in a tissue selective manner in a patient in need of such modulation, as well as in a method of agonizing the androgen receptor in a patient, and in particular the method wherein the androgen receptor is antagonized in the prostate of a male patient or in the uterus of a female patient and agonized in bone and/or muscle tissue. These compounds are useful in the treatment of conditions caused by androgen deficiency or which can be ameliorated by androgen administration, including: osteoporosis, periodontal disease, bone fracture, bone damage following bone reconstructive surgery, sarcopenia, frailty, aging skin, male hypogonadism, post-menopausal symptoms in women, atherosclerosis, hypercholesterolemia, hyperlipidemia, aplastic anemia and other hematopoietic disorders, pancreatic cancer, renal cancer, arthritis and joint repair, alone or in combination with other active agents. In addition, these compounds are useful as pharmaceutical composition ingredients alone and in combination with other active agents.

  本文所定义的结构式（I）的化合物被披露为在需要这种调节的患者中以组织选择性方式调节雄激素受体的方法中有用，以及在患者中激动雄激素受体的方法中有用，特别是在男性患者的前列腺或女性患者的子宫中拮抗雄激素受体并在骨骼和/或肌肉组织中激动雄激素受体的方法中有用。这些化合物在治疗由雄激素缺乏引起或可以通过雄激素治疗改善的疾病中有用，包括：骨质疏松症、牙周病、骨折、骨重建手术后的骨损伤、肌肉萎缩、虚弱、老化皮肤、男性性腺功能减退、女性绝经后症状、动脉硬化、高胆固醇血症、高脂血症、再生障碍性贫血和其他造血障碍、胰腺癌、肾癌、关节炎和关节修复，单独或与其他活性剂联合使用。此外，这些化合物作为药物组成部分单独或与其他活性剂联合使用也是有用的。
• ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF
  申请人：Merck & Co., Inc.

  公开号：EP1420796A1

  公开（公告）日：2004-05-26
• EP1420796A4
  申请人：——

  公开号：EP1420796A4

  公开（公告）日：2007-07-11
• US6645974B2
  申请人：——

  公开号：US6645974B2

  公开（公告）日：2003-11-11
• [EN] ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF<br/>[FR] MODULATEURS DU RECEPTEUR DES ANDROGENES ET LEURS PROCEDES D'UTILISATION
  申请人：MERCK & CO INC

  公开号：WO2003011302A1

  公开（公告）日：2003-02-13

  Compounds of structural formula (I) as herein defined are disclosed as useful in a method for modulating the androgen receptor in a tissue selective manner in a patient in need of such modulation, as well as in a method of agonizing the androgen receptor in a patient, and in particular the method wherein the androgen receptor is antagonized in the prostate of a male patient or in the uterus of a female patient and agonized in bone and/or muscle tissue. These compounds are useful in the treatment of conditions caused by androgen deficiency or which can be ameliorated by androgen administration, including: osteoporosis, periodontal disease, bone fracture, bone damage following bone reconstructive surgery, sarcopenia, frailty, aging skin, male hypogonadism, post-menopausal symptoms in women, atherosclerosis, hypercholesterolemia, hyperlipidemia, aplastic anemia and other hematopoietic disorders, pancreatic cancer, renal cancer, arthritis and joint repair, alone or in combination with other active agents. In addition, these compounds are useful as pharmaceutical composition ingredients alone and in combination with other active agents.