4-(6-tert-Butyl-cyclohex-1-en-1-yl)-3-methyl-benzoic acid methyl ester

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 4-(6-tert-Butyl-cyclohex-1-en-1-yl)-3-methyl-benzoic acid methyl ester
• 英文别名: methyl 4-(6-tert-butylcyclohexen-1-yl)-3-methylbenzoate
• 化学式: C₁₉H₂₆O₂
• 分子量: 286.414
• InChiKey: BPRITZCORNCDMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-(甲氧羰基)-2-甲基苯硼酸频哪醇酯 、 6-(tert-butyl)cyclohex-1-en-1-yl trifluoromethanesulfonate 在 silica gel 、 乙酸乙酯 、 正己烷 作用下， 以afforded the title compound (0.880 g) as a light yellow oil的产率得到4-(6-tert-Butyl-cyclohex-1-en-1-yl)-3-methyl-benzoic acid methyl ester
  参考文献：
  名称：

  Cyclohexenyl phenyl diazepines vasopressin and oxytocin receptor modulators

  摘要：

  本发明提供了新型三环二氮平化合物，以及利用它们治疗或预防疾病的方法和制药组合物，包括尿崩症、夜间遗尿、夜尿症、尿失禁、出血和凝血障碍、充血性心力衰竭或诱导暂时延迟排尿，并且在增加血管阻力和冠状动脉收缩的情况下；并用于治疗或预防通过催产素拮抗剂活性缓解的疾病，包括抑制早产、痛经、子宫内膜炎和在剖腹产前抑制足月分娩。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；以及治疗中枢神经系统中催产素系统的功能障碍，包括强迫症和神经精神障碍。

  公开号：

  US07022699B2

文献信息

• Novel cyclohexenyl phenyl diazepines vasopressin and oxytocin receptor modulators
  申请人：Wyeth

  公开号：US20020198196A1

  公开（公告）日：2002-12-26

  The present invention provides novel tricyclic diazepine compounds and methods and pharmaceutical compositions utilizing them for the treating or preventing disorders including diabetes insipidus, nocturnal enuresis, nocturia, urinary incontinence, bleeding and coagulation disorders, congestive heart failure or for inducing temporary delay of urination, and in conditions with increased vascular resistance and coronary vasoconstriction; and for the treating or preventing disorders remedied or alleviated by oxytocin antagonist activity, including suppression of preterm labor, dysmenorrhea, endometritis, and for suppressing labor at term prior to caesarean delivery. These compounds are also useful in enhancing fertility rates, enhancing survival rates and synchronizing estrus in farm animals; and treatment of disfunctions of the oxytocin system in the central nervous system including obsessive compulsive disorder (OCD) and neuropsychiatric disorders.

  本发明提供了新颖的三环二氮杂环烷化合物，以及利用它们用于治疗或预防包括尿崩症、夜尿症、夜尿频、尿失禁、出血和凝血障碍、充血性心力衰竭或暂时延迟排尿、以及在血管阻力增加和冠状血管收缩的情况下；以及用于治疗或预防通过催产素拮抗活性得到缓解或减轻的疾病，包括抑制早产、痛经、子宫内膜炎，以及在剖宫产前抑制分娩。这些化合物还可用于提高农场动物的生育率、生存率和同步动情期；以及治疗中枢神经系统中催产素系统功能障碍，包括强迫症（OCD）和神经精神障碍。
• NOVEL CYCLOHEXENYL PHENYL DIAZEPINES AS VASOPRESSIN AND OXYTOCIN RECEPTOR MODULATORS
  申请人：Wyeth

  公开号：EP1377584A1

  公开（公告）日：2004-01-07
• US7022699B2
  申请人：——

  公开号：US7022699B2

  公开（公告）日：2006-04-04
• [EN] NOVEL CYCLOHEXENYL PHENYL DIAZEPINES VASOPRESSIN AND OXYTOCIN RECEPTOR MODULATORS<br/>[FR] NOUVELLES CYCLOHEXENYL-PHENYL-DIAZEPINES MODULATRICES DES RECEPTEURS DE LA VASOPRESSINE ET DE L'OCYTOCINE
  申请人：WYETH CORP

  公开号：WO2002083681A1

  公开（公告）日：2002-10-24

  The present invention provides novel tricyclic diazepine compounds and methods and pharmaceutical compositions utilizing them for the treating or preventing disorders including diabetes insipidus, nocturnal enuresis, nocturia, urinary incontinence, bleeding and coagulation disorders, congestive heart failure or for inducing temporary delay of urination, and in conditions with increased vascular resistance and coronary vasoconstriction; and for the treating or preventing disorders remedied or alleviated by oxytocin antagonist activity, including suppression of preterm labor, dysmenorrhea, endometritis, and for suppressing labor at term prior to caesarean delivery. These compounds are also useful in enhancing fertility rates, enhancing survival rates and synchronising estrus in farm animals; and treatment of disfunction of the oxytocin system in the central nervous system including obsessive compulsive disorder (OCD) and neuropsychiatric disorders.
• Cyclohexenyl phenyl diazepines vasopressin and oxytocin receptor modulators
  申请人：Wyeth

  公开号：US07022699B2

  公开（公告）日：2006-04-04

  The present invention provides novel tricyclic diazepine compounds and methods and pharmaceutical compositions utilizing them for the treating or preventing disorders including diabetes insipidus, nocturnal enuresis, nocturia, urinary incontinence, bleeding and coagulation disorders, congestive heart failure or for inducing temporary delay of urination, and in conditions with increased vascular resistance and coronary vasoconstriction; and for the treating or preventing disorders remedied or alleviated by oxytocin antagonist activity, including suppression of preterm labor, dysmenorrhea, endometritis, and for suppressing labor at term prior to caesarean delivery. These compounds are also useful in enhancing fertility rates, enhancing survival rates and synchronizing estrus in farm animals; and treatment of disfunctions of the oxytocin system in the central nervous system including obsessive compulsive disorder (OCD) and neuropsychiatric disorders.

  本发明提供了新型三环二氮平化合物，以及利用它们治疗或预防疾病的方法和制药组合物，包括尿崩症、夜间遗尿、夜尿症、尿失禁、出血和凝血障碍、充血性心力衰竭或诱导暂时延迟排尿，并且在增加血管阻力和冠状动脉收缩的情况下；并用于治疗或预防通过催产素拮抗剂活性缓解的疾病，包括抑制早产、痛经、子宫内膜炎和在剖腹产前抑制足月分娩。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；以及治疗中枢神经系统中催产素系统的功能障碍，包括强迫症和神经精神障碍。