1-Ethyl-3-isopropyl-5-p-tolyl-6,7-dihydro-1H-pyrazolo[4,3-e][1,4]diazepin-8-one

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1-Ethyl-3-isopropyl-5-p-tolyl-6,7-dihydro-1H-pyrazolo[4,3-e][1,4]diazepin-8-one
• 英文别名: 1-Ethyl-5-(4-methylphenyl)-3-propan-2-yl-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-8-one
• 化学式: C₁₈H₂₂N₄O
• 分子量: 310.399
• InChiKey: KTRLOMZFBURHMC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  59.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  劳森试剂 、 1-Ethyl-3-isopropyl-5-p-tolyl-6,7-dihydro-1H-pyrazolo[4,3-e][1,4]diazepin-8-one 以 甲苯 为溶剂， 以0.567 g (87%)的产率得到1-Ethyl-3-isopropyl-5-p-tolyl-6,7-dihydro-1H-pyrazolo[4,3-e][1,4]diazepin-8-thione
  参考文献：
  名称：

  Novel substituted pyrazolo[4,3-e]diazepines, pharmaceutical compositions containing them, use as medicinal products and processes for preparing them

  摘要：

  这项发明涉及一种新型的取代吡唑并[4,3-e]-二氮杂环庚烷的一般式(I)，以及含有它们的药物组合物，它们作为药物的用途以及制备它们的方法。

  公开号：

  US20030171364A1
• 作为产物：
  描述：

  2-ethyl-5-isopropyl-4-nitro-2H-pyrazole-3-carboxylic acid 、 2-氨基-4’-甲氧基苯乙酮盐酸盐 以0.32 g (51%)的产率得到1-Ethyl-3-isopropyl-5-p-tolyl-6,7-dihydro-1H-pyrazolo[4,3-e][1,4]diazepin-8-one
  参考文献：
  名称：

  Novel substituted pyrazolo[4,3-e]diazepines, pharmaceutical compositions containing them, use as medicinal products and processes for preparing them

  摘要：

  这项发明涉及一种新型的取代吡唑并[4,3-e]-二氮杂环庚烷的一般式(I)，以及含有它们的药物组合物，它们作为药物的用途以及制备它们的方法。

  公开号：

  US20030171364A1

文献信息

• Azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]-quinoline as 5-HT1A antagonists
  申请人：Wyeth

  公开号：US20020193366A1

  公开（公告）日：2002-12-19

  Compounds of the formula 1 useful for the treatment of disorders, such as anxiety, aggression and stress, and for the control of various physiological phenomena, such as appetite, thermoregulation, sleep and sexual behavior.

  该公式的化合物用于治疗诸如焦虑、攻击性和压力等疾病，以及控制各种生理现象，如食欲、体温调节、睡眠和性行为。
• Pharmaceutical composition for preventing or treating a disease associated with an excess of IL-12-production
  申请人：——

  公开号：US20020119967A1

  公开（公告）日：2002-08-29

  This invention relates to the use of a PDE4 inhibitor or a pharmacologically acceptable salt thereof for manufacturing a medicament for preventing or treating a disease associated with an excess in IL-12 production.

  本发明涉及使用PDE4抑制剂或其药理学上可接受的盐来制造用于预防或治疗与IL-12过度产生相关的疾病的药物。
• [EN] ANTIDEPRESSANT AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO[2,3-F]QUINOLINE<br/>[FR] DERIVES AZAHETEROCYCLYLMETHYLE ANTIDEPRESSEURS DE 2,3-DIHYDRO-1,4-DIOXINO[2,3-F]QUINOLINE
  申请人：WYETH CORP

  公开号：WO2002072587A1

  公开（公告）日：2002-09-19

  Compounds of the formula (I): are useful for the treatment of depression (including but not limited to major depressive disorder, childhood depression and dysthymia), anxiety, panic disorder, post-traumatic stress disorder, premenstrual dysphoric disorder (also known as premenstrual syndrome), attention deficit disorder (with and without hyperactivity), obsessive compulsive disorder, social anxiety disorder, generalized anxiety disorder, obesity, eating disorders such as anorexia nervosa, bulimia nervosa, vasomotor flushing, cocaine and alcohol addition, sexual dysfunction and related illnesses.

  公式（I）的化合物对于治疗抑郁症（包括但不限于重度抑郁障碍、儿童抑郁症和慢性低落情感）、焦虑、恐慌症、创伤后应激障碍、经前期失调性情感障碍（也称经前综合征）、注意力缺陷障碍（有或没有多动症）、强迫症、社交焦虑障碍、广泛性焦虑障碍、肥胖症、饮食失调（如厌食症、贪食症）、血管运动性潮红、可卡因和酒精成瘾、性功能障碍及相关疾病具有治疗作用。
• Novel substituted pyrazolo[4,3-e]diazepines, pharmaceutical compositions containing them, use as medical products and processes for preparing them
  申请人：Burnouf Catherine

  公开号：US20050130957A1

  公开（公告）日：2005-06-16

  The invention relates to novel substituted pyrazolo[4,3-e]-diazepines of general formula: to pharmaceutical compositions containing them, to their use as medicinal products and to processes for preparing them.

  本发明涉及一种新的取代的嘧唑并[4,3-e]-二氮杂环己烷通式：以及含有它们的制药组合物，它们作为药物的使用以及制备它们的过程。
• Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]quinoline
  申请人：Wyeth

  公开号：US20030045542A1

  公开（公告）日：2003-03-06

  Compounds of the formula: 1 are useful for the treatment of depression (including but not limited to major depressive disorder, childhood depression and dysthymia), anxiety, panic disorder, post-traumatic stress disorder, premenstrual dysphoric disorder (also known as pre-menstrual syndrome), attention deficit disorder (with and without hyperactivity), obsessive compulsive disorder, social anxiety disorder, generalized anxiety disorder, obesity, eating disorders such as anorexia nervosa, bulimia nervosa, vasomotor flushing, cocaine and alcohol addiction, sexual dysfunction and related illnesses.

  公式为1的化合物可用于治疗抑郁症（包括但不限于重度抑郁障碍、儿童抑郁症和心境恶劣障碍）、焦虑症、恐慌症、创伤后应激障碍、经前期不良情绪障碍（也称经前综合征）、注意力缺陷障碍（伴有或不伴有多动症）、强迫症、社交焦虑障碍、广泛性焦虑障碍、肥胖症、进食障碍如厌食症、贪食症、潮红、可卡因和酒精成瘾、性功能障碍及相关疾病的治疗。