(2S)-2-{[10-(4-Cyclohex-1-en-1-yl-3-methyl-benzoyl)-10,11-dihydro-5H-pyrrolo [2,1-c][1,4] benzodiazepine-3-carbonyl]-amino}-3-hydroxy-propionic acid | 473665-74-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (2S)-2-{[10-(4-Cyclohex-1-en-1-yl-3-methyl-benzoyl)-10,11-dihydro-5H-pyrrolo [2,1-c][1,4] benzodiazepine-3-carbonyl]-amino}-3-hydroxy-propionic acid
• 英文别名: (2S)-2-{[10-(4-Cyclohex-1-en-1-yl-3-methyl-benzoyl)-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carbonyl]-amino}-3-hydroxy-propionic acid；(2S)-2-[[5-[4-(cyclohexen-1-yl)-3-methylbenzoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carbonyl]amino]-3-hydroxypropanoic acid
• CAS: 473665-74-6
• 化学式: C₃₀H₃₁N₃O₅
• 分子量: 513.593
• InChiKey: BQNRMPABKLCGIS-VWLOTQADSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  38
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  112
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (2S)-2-{[10-(4-Cyclohex-1-en-1-yl-3-methyl-benzoyl)-10,11-dihydro-5H-pyrrolo [2,1-c][1,4] benzodiazepine-3-carbonyl]-amino}-3-hydroxy-propionic acid methyl ester 、 sodium hydroxide 、 盐酸 在 乙醚 、 sodium hydroxide 、 magnesium sulfate 作用下， 以 丙酮 为溶剂， 反应 16.0h， 以to afford 0.210 g of the title compound as a white powder的产率得到(2S)-2-{[10-(4-Cyclohex-1-en-1-yl-3-methyl-benzoyl)-10,11-dihydro-5H-pyrrolo [2,1-c][1,4] benzodiazepine-3-carbonyl]-amino}-3-hydroxy-propionic acid
  参考文献：
  名称：

  Novel hydroxy cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists

  摘要：

  本发明提供了取代的10,11-二氢-5H-苯并[e]-吡咯并[1,2-a][1,4]二氮杂平和9,10-二氢-4H-3a,5,9-三氮杂苯并[f]蓝色素化合物，以及利用这些化合物的方法和制药组合物，用于治疗和/或预防和/或抑制可通过催产素受体拮抗活性缓解或减轻的疾病，包括预防和/或抑制早产、在剖腹产前抑制足月分娩以及治疗痛经。这些化合物还可用于提高农场动物的生育率、生存率和同步发情。

  公开号：

  US20020183311A1

文献信息

• Hydroxy cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists
  申请人：Failli Amedeo Arturo

  公开号：US06977254B2

  公开（公告）日：2005-12-20

  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 suppression 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 treatment of dysmenorrhea. These compounds are also useful in enhancing fertility rates, enhancing survival rates and synchronizing estrus in farm animals.

  本发明提供了替代的10,11-二氢-5H-苯并[e]-吡咯并[1,2-a][1,4]二氮杂环和9,10-二氢-4H-3a,5,9-三氮杂苯[f]蓝化合物，以及利用这些化合物的方法和制药组合物，用于治疗和/或预防和/或抑制可以通过催产素拮抗剂活性得到治疗或缓解的疾病，包括预防和/或抑制早产、在剖腹产前期抑制分娩和治疗痛经。这些化合物还可用于提高农业动物的生育率、生存率和同步发情。
• 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.