17α-acetoxy-11β-[4-(N,N-dimethylamino)phenyl]-21-propionyloxy-19-norpregna-4,9-diene-3,20-dione | 365416-67-7

• 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: 17α-acetoxy-11β-[4-(N,N-dimethylamino)phenyl]-21-propionyloxy-19-norpregna-4,9-diene-3,20-dione
• 英文别名: [2-[(8S,11R,13S,14S,17R)-17-acetyloxy-11-[4-(dimethylamino)phenyl]-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate
• CAS: 365416-67-7
• 化学式: C₃₃H₄₁NO₆
• 分子量: 547.692
• InChiKey: IFZKDTLYUUXMAI-SBMMGGBVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  40
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  90
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• 17-alpha-substituted-11-beta-substituted-4-aryl and 21-substituted 19-norpregnadienedione as antiprogestational agents
  申请人：The Government Of The United States Of America As Represented By The Secretary Of The Department Of Health And Human Services

  公开号：EP2033965A2

  公开（公告）日：2009-03-11

  The invention provides 17-alpha-substituted-11-beta-substituted-4-aryl and 21-substituted 19-norpregnadienediones as antiprogestational agents.

  本发明提供了 17-α-取代-11-β-取代-4-芳基和 21-取代 19-前二烯酮作为抗孕激素制剂。
• 17-Alpha-substituted-11-beta-substituted-4-aryl and 21-substituted 19-norpregnadienedione as antiprogestational agents
  申请人：The Government of the United States of America as represented by the Secretary of the Department of Health and Human Services

  公开号：EP2348030A2

  公开（公告）日：2011-07-27

  The invention provides 17-alpha-substituted-11-beta-substituted-4-aryl and 21-substituted 19-norpregnadienediones as antiprogestational agents.

  本发明提供了 17-α-取代-11-β-取代-4-芳基和 21-取代 19-前二烯酮作为抗孕激素制剂。
• Structural modification of 19-norprogesterone I: 17-alpha-substituted-11-beta-substituted-4-aryl and 21-substituted 19-norpregnadienedione as new antiprogestational agents
  申请人：Kim K. Hyun

  公开号：US20050143365A1

  公开（公告）日：2005-06-30

  The present invention relates, inter alia, to compounds having the general formula: in which: R 1 is a member selected from the group consisting of —OCH 3 , —SCH 3 , —N(CH 3 ) 2 , —NHCH 3 , —NC 4 H 8 , —NC 5 H 10 , —NC 4 H 8 O, —CHO, —CH(OH)CH 3 , —C(O)CH 3 , —O(CH 2 ) 2 N(CH 3 ) 2 , and —O(CH 2 ) 2 NC 5 H 10 ; R 2 is a member selected from the group consisting of hydrogen, halogen, alkyl, acyl, hydroxy, alkoxy (e.g., methoxy, ethoxy, vinyloxy, ethynyloxy, cyclopropyloxy, etc.), acyloxy (e.g., acetoxy, glycinate, etc.), alkylcarbonate, cypionyloxy, S-alkyl, —SCN, S-acyl and —OC(O)R 6 , wherein R 6 is a functional group including, but not limited to, alkyl (e.g., methyl, ethyl, etc.), alkoxy ester (e.g., —CH 2 OCH 3 ) and alkoxy (—OCH 3 ); R 3 is a member selected from the group consisting of alkyl, hydroxy, alkoxy and acyloxy; R 4 is a member selected from the group consisting of hydrogen and alkyl; and X is a member selected from the group consisting of ═O and ═N—OR 5 , wherein R 5 is a member selected from the group consisting of hydrogen and alkyl. In addition to providing the compounds of Formula I, the present invention provides methods wherein the compounds of Formula I are advantageously used, inter alia, to antagonize endogenous progesterone; to induce menses; to treat endometriosis; to treat dysmenorrhea; to treat endocrine hormone-dependent tumors; to treat meningiomas; to treat uterine leiomyomas; to treat uterine fibroids; to inhibit uterine endometrial proliferation; to induce cervical ripening; to induce labor; and for contraception.

  本发明主要涉及具有通式的化合物： 其中R 1 是选自 -OCH 3 、-SCH 3 、-N(CH 3 ) 2 , -NHCH 3 , -NC 4 H 8 , -NC 5 H 10 , -NC 4 H 8 O，-CHO，-CH(OH)CH 3 、-C(O)CH 3 ，-O(CH 2 ) 2 N(CH 3 ) 2 和-O(CH 2 ) 2 NC 5 H 10 ; R 2 是选自氢、卤素、烷基、酰基、羟基、烷氧基（如甲氧基、乙氧基、乙烯氧基、乙炔氧基、环丙氧基等）、酰氧基（如乙酰氧基、甘氨酸等）、烷基碳酸酯、环丙氧基、S-烷基、-SCN、S-酰基和-OC(O)R 所组成的组中的成员 6 其中 R 6 是官能团，包括但不限于烷基（如甲基、乙基等）、烷氧基酯（如 -CH 2 OCH 3 ）和烷氧基（-OCH 3 ); R 3 是从烷基、羟基、烷氧基和酰氧基组成的组中选出的成员； R 4 是从氢和烷基组成的组中选出的成员；X是从═O 和═N-OR 组成的组中选出的成员。 5 其中 R 5 是从氢和烷基组成的组中选出的成员。 除了提供式 I 的化合物外，本发明还提供了一些方法，其中式 I 的化合物有利地用于，除其他外，拮抗内源性孕酮；诱导月经；治疗子宫内膜异位症；治疗痛经；治疗内分泌激素依赖性肿瘤；治疗脑膜瘤；治疗子宫纵隔肌瘤；治疗子宫肌瘤；抑制子宫内膜增生；诱导宫颈成熟；引产；以及避孕。
• FORMULATIONS WITH IMPROVED BIOAVAILABILITY, COMPRISING A STEROID DERIVATIVE AND A POLYGLYCOLYSED GLYCERIDE
  申请人：Repros Therapeutics Inc.

  公开号：EP1940413A1

  公开（公告）日：2008-07-09
• PROGESTERONE ANTAGONISTS SUCH AS CDB-4124 IN THE TREATMENT OF ENDOMETRIOSIS, UTERINE FIBROIDS, DYSMENORRHEA, BREAST CANCER, ETC.
  申请人：Podolski Joseph S.

  公开号：US20110046098A1

  公开（公告）日：2011-02-24

  The present invention relates to methods of administering compositions comprising a progesterone receptor antagonist for use in treating estrogen-dependent conditions. The invention is also directed to methods for treating pain associated with endometriosis. The compositions may be administered to females with endometriosis as well as to females undergoing estrogen and/or selective estrogen receptor modulator (SERM) therapy. In certain embodiments, the invention provides a method for suppressing endometrial proliferation.