(11BETA,17BETA)-11-[4-(二甲基氨基)苯基]-17-羟基-17-(3-羟基-1-丙炔-1-基)-雌甾-4,9-二烯-3-酮 | 105012-15-5

• 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
• 中文名称: (11BETA,17BETA)-11-[4-(二甲基氨基)苯基]-17-羟基-17-(3-羟基-1-丙炔-1-基)-雌甾-4,9-二烯-3-酮
• 中文别名: 22-羟基米非司酮
• 英文名称: (11beta,17beta)-11-(4-(Dimethylamino)phenyl)-17-hydroxy-17-(3-hydroxy-1-propynyl)estra-4,9-dien-3-one
• 英文别名: (8S,11R,13S,14S,17R)-11-[4-(dimethylamino)phenyl]-17-hydroxy-17-(3-hydroxyprop-1-ynyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
• CAS: 105012-15-5
• 化学式: C₂₉H₃₅NO₃
• 分子量: 445.6
• InChiKey: ULLTWLWXPJPTQG-QYQUYBGJSA-N

物化性质

• 熔点：
  113-118°C
• 密度：
  1.24
• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  33
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  60.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (11BETA,17BETA)-11-[4-(二甲基氨基)苯基]-17-羟基-17-(3-羟基-1-丙炔-1-基)-雌甾-4,9-二烯-3-酮 、 四溴化碳 生成 (8S,11R,13S,14S,17R)-17-(3-bromoprop-1-ynyl)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
  参考文献：
  名称：

  CLAUSSNER, ANDRE;LECLAIRE, JACQUES;NEDELEC, LUCIEN;PHILIBERT, DANIEL

  摘要：

  DOI：

文献信息

• Treatment of Ocular Conditions and the Side-Effects of Glucocorticoids
  申请人：Roach Alan Geoffrey

  公开号：US20100298282A1

  公开（公告）日：2010-11-25

  A compound having glucocorticoid receptor (GR) antagonist activity and a clogP value of less than 5 is useful for the treatment of an ocular condition. Further, a compound having glucocorticoid receptor (GR) antagonist activity is useful, for the treatment of a patient exhibiting side-effects of the administration of a glucocorticosteroid, e.g. wherein the glucocorticosteroid and said compound are administered by different routes.
• Treatment of Heart Failure and Sudden Cardiac Death
  申请人：Rhode Island Hospital

  公开号：US20150005269A1

  公开（公告）日：2015-01-01

  A method of reducing heart failure or preventing sudden cardiac death in a subject in need thereof is carried out by administering a composition comprising a compound that increases cellular level of Sarco/endoplasmic reticulum Ca 2+ -ATPase 2a (SERCA2a). The invention represents a significant breakthrough in the treatment or prevention of chronic heart failure. The invention is based upon the discovery that a Mifepristone molecule increases the cellular level of SERCA2a protein.
• [EN] TREATMENT OF HEART FAILURE AND SUDDEN CARDIAC DEATH<br/>[FR] TRAITEMENT DE L'INSUFFISANCE CARDIAQUE ET DE LA MORT SUBITE D'ORIGINE CARDIAQUE
  申请人：RHODE ISLAND HOSPITAL

  公开号：WO2013103687A2

  公开（公告）日：2013-07-11

  A method of reducing heart failure or preventing sudden cardiac death in a subject in need thereof is carried out by administering a composition comprising a compound that increases cellular level of Sarco/endoplasmic reticulum Ca2+-ATPase 2a (SERCA2a). The invention represents a significant breakthrough in the treatment or prevention of chronic heart failure. The invention is based upon the discovery that a Mifepristone molecule increases the cellular level of SERCA2a protein.