10-(4-Cyclohex-1-en-1-yl-3-methylbenzoyl)-N-[((4S,5S)-5-{(R)-hydroxy[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl}-2-oxo-1,3-dioxolan-4-yl)methyl]-N-methyl-10,11-dihydro-5H-pyrrolo [2,1-c][1,4] benzodiazepine-3-carboxamide | 473665-62-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 10-(4-Cyclohex-1-en-1-yl-3-methylbenzoyl)-N-[((4S,5S)-5-{(R)-hydroxy[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl}-2-oxo-1,3-dioxolan-4-yl)methyl]-N-methyl-10,11-dihydro-5H-pyrrolo [2,1-c][1,4] benzodiazepine-3-carboxamide
• 英文别名: 5-[4-(cyclohexen-1-yl)-3-methylbenzoyl]-N-[[(4S,5S)-5-[(R)-hydroxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]-2-oxo-1,3-dioxolan-4-yl]methyl]-N-methyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide
• CAS: 473665-62-2
• 化学式: C₃₆H₃₇N₃O₉
• 分子量: 655.704
• InChiKey: XLGDURXXCSKWLQ-SYEZAVJTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  48
• 可旋转键数：
  7
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  137
• 氢给体数：
  1
• 氢受体数：
  9

文献信息

• EP1385849A1
  申请人：——

  公开号：EP1385849A1

  公开（公告）日：2004-02-04
• US6977254B2
  申请人：——

  公开号：US6977254B2

  公开（公告）日：2005-12-20
• [EN] NOVEL HYDROXY CYCLOHEXENYL PHENYL CARBOXAMIDES TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS<br/>[FR] NOUVEAUX HYDROXY-CYCLOHEXENYL-PHENYL-CARBOXAMIDES ANTAGONISTES TOCOLYTIQUES DU RECEPTEUR DE L'OCYTOCINE
  申请人：WYETH CORP

  公开号：WO2002083679A1

  公开（公告）日：2002-10-24

  The present invention provides substituted 10, 11-Dihydro-5H-benzo[e]-pyrrolo-[1,2-a][1,4]diazepine and 9,10-Dihydro-4H-3a,5,9-triaza-benzo[f]azulene compounds as well as methods and pharmaceutical compositions utilizing these compounds for the treatment and/or prevention and/or supression of disorders which may be remedied or alleviated by oxytocin antagonist activity, including prevention and/or suppression of preterm labor, suppression labor at term prior to caesarean deliver, and for the treatmet of dysmenorrhea. These compounds are also useful in enhancing fertility rates, enhancing survival rates and synchronizing estrus in farm animals.