17β-cyano-7α-cyclopropyl-17α-methyl-15β,16β-methylene-18a-homo-19-nor-androst-4-en-3-one | 1092769-89-5

• 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
• 英文名称: 17β-cyano-7α-cyclopropyl-17α-methyl-15β,16β-methylene-18a-homo-19-nor-androst-4-en-3-one
• 英文别名: (1R,2S,3R,5S,6S,7S,10S,11R,18S)-18-cyclopropyl-7-ethyl-6-methyl-14-oxopentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene-6-carbonitrile
• CAS: 1092769-89-5
• 化学式: C₂₅H₃₃NO
• 分子量: 363.543
• InChiKey: QVQSSPHDNLVYRQ-FKSKGNGUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  27
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  40.9
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• 17Beta-CYANO-18A-HOMO-19-NOR-ANDROST-4-ENE DERIVATIVE, ITS USE AND MEDICAMENTS COMPRISING THE DERIVATIVE
  申请人：KUHNKE JOACHIM

  公开号：US20090048218A1

  公开（公告）日：2009-02-19

  The 17β-cyano-18a-homo-19-nor-androst-4-ene derivatives of the present invention possess gestagenic activity. They have the general chemical formula 1, in which Z is selected from the group comprising O, two hydrogen atoms, NOR and NNHSO 2 R, in which R is hydrogen or C 1 -C 4 -alkyl, R 4 is hydrogen or halogen, furthermore either: R 6a , R 6b together form methylene or 1,2-ethanediyl or R 6a is hydrogen and R 6b is selected from the group comprising hydrogen, methyl and hydroxymethylene, and R 7 is selected from the group comprising hydrogen, C 1 -C 4 -alkyl, C 2 -C 3 -alkenyl and cyclopropyl, or: R 6a is hydrogen and R 6b and R 7 either together form methylene or are omitted with formation of a double bond between C 6 and C 7 , R 9 , R 10 are hydrogen or are omitted with formation of a double bond between C 9 and C 10 , R 15 , R 16 are hydrogen or together form methylene, R 17 is selected from the group comprising hydrogen, C 1 -C 4 -alkyl and allyl, at least one of the substituents R 4 , R 6a , R 6b , R 7 , R 15 , R 16 and R 17 not being hydrogen or R 6b and R 7 being omitted with formation of a double bond between C 6 and C 7 or being omitted with formation of a double bond between C 1 and C 2 , and moreover comprise their solvates, hydrates, stereoisomers, diastereomers, enantiomers and salts.

  本发明的17β-氰基-18a-同型-19-去氢雄烯-4-烯衍生物具有孕激素活性。它们具有一般化学式1，其中Z选自包括O、两个氢原子、NOR和NNHSO2R的基团，其中R为氢或C1-C4-烷基，R4为氢或卤素，此外还有：R6a、R6b共同形成亚甲基或1,2-乙二基或R6a为氢且R6b选自包括氢、甲基和羟甲基的基团，R7选自包括氢、C1-C4-烷基、C2-C3-烯基和环丙基的基团，或：R6a为氢且R6b和R7共同形成亚甲基或省略，形成C6和C7之间的双键，R9、R10为氢或省略，形成C9和C10之间的双键，R15、R16为氢或共同形成亚甲基，R17选自包括氢、C1-C4-烷基和烯丙基的基团，其中至少有一个取代基R4、R6a、R6b、R7、R15、R16和R17不是氢或R6b和R7省略，形成C6和C7之间的双键或省略，形成C1和C2之间的双键，此外还包括它们的溶剂化合物、水合物、立体异构体、对映异构体、对映体和盐。
• 17BETA-CYANO-18A-HOMO-19-NOR-ANDROST-4-EN-DERIVAT, DESSEN VERWENDUNG UND DAS DERIVAT ENTHALTENDE ARZNEIMITTEL
  申请人：Bayer Intellectual Property GmbH

  公开号：EP2178899B1

  公开（公告）日：2012-10-24
• [DE] VERWENDUNG VON 17ß-CYANO-18A-HOMO-19-NOR-ANDROST-4-EN-DERIVATEN ZUR HERSTELLUNG EINES ARZNEIMITTELS IN DEPOT-FORM ZUR PARENTERALEN ANWENDUNG SOWIE DEPOT-ARZNEIMITTEL ENTHALTEND 17ß-CYANO-18A-HOMO-19-NOR-ANDROST-4-EN-DERIVATE ZUR PARENTERALEN ANWENDUN<br/>[EN] USE OF 17ß-CYANO-18A-HOMO-19-NOR-ANDROST-4-ENE DERIVATIVES FOR MANUFACTURING A MEDICAMENT IN A SUSTAINED-RELEASE FORM FOR PARENTERAL USE, AND SUSTAINED-RELEASE MEDICAMENT CONTAINING 17ß-CYANO-18A-HOMO-19-NOR-ANDROST-4-ENE DERIVATIVES FOR PARENTERAL U<br/>[FR] UTILISATION DE DÉRIVÉS DE 17ß-CYANO-18A-HOMO-19-NOR-ANDROST-4-ÈNE POUR PRODUIRE UN MÉDICAMENT À LIBÉRATION PROLONGÉE DESTINÉ À ÊTRE ADMINISTRÉ PAR VOIE PARENTÉRALE, ET MÉDICAMENT À LIBÉRATION PROLONGÉE CONTENANT DES DÉRIVÉS DE 17ß-CYANO-18A-HOMO-19-N
  申请人：BAYER SCHERING PHARMA AG

  公开号：WO2010066354A1

  公开（公告）日：2010-06-17

  Die gestagene Aktivität besitzenden 17ß-Cyano-18a-homo-19-nor-androst-4-en-Derivate der allgemeinen chemischen Formel (1), können zur Herstellung von Depot-Arzneimitteln zur parenteralen, beispielsweise intrauterinen oder intravaginalen Applikation dieser Verbindungen beispielsweise in Form eines intrauterinen Systems oder Vaginalringes verwendet werden. Die vorliegende Erfindung betrifft auch derartige, mindestens eine Verbindung der allgemeinen chemischen Formel (1) enthaltende Systeme selbst, die zur parenteralen, insbesondere intrauterinen oder intravaginalen Anwendung hergerichtet sind.