2-丁基-5-甲基-2,4-二氢-3H-吡唑-3-酮 | 65156-70-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 中文名称: 2-丁基-5-甲基-2,4-二氢-3H-吡唑-3-酮
• 英文名称: 2-butyl-5-methyl-2,4-dihydro-3H-pyrazol-3-one
• 英文别名: 1-Butyl-3-methyl-2-pyrazolin-5-one；2-butyl-5-methyl-4H-pyrazol-3-one
• CAS: 65156-70-9
• 化学式: C₈H₁₄N₂O
• mdl: MFCD02293139
• 分子量: 154.212
• InChiKey: URLKJZYEIINRBY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  32.7
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933199090

反应信息

• 作为反应物：
  描述：

  2-丁基-5-甲基-2,4-二氢-3H-吡唑-3-酮 在 calcium hydroxide 、 formamide 作用下， 以 1,4-二氧六环 为溶剂， 反应 0.33h， 生成 2-Butyl-4-(imino-phenyl-methyl)-5-methyl-2H-pyrazol-3-ol
  参考文献：
  名称：

  1,3-二烷基-4-（亚氨基芳基甲基）-1H-吡唑-5-醇。一系列新型潜在的抗精神病药。

  摘要：

  最近发现2-（二乙氨基）-N- [4-（2-氟苯甲酰基）-1,3-二甲基-1H-吡唑-5-基]乙酰胺（1）在行为动物试验中具有类似抗精神病药的特征，但与临床上可用的抗精神病药不同，它不与多巴胺受体相互作用。化合物1显然代谢为（5-氨基-1,3-二甲基-1H-吡唑-4-基）（2-氟苯基）甲酮（2），在行为动物试验中既有活性又有毒。描述了一系列1,3-二烷基-4-（亚氨基芳基甲基）-1H-吡唑-5-醇的合成和药理学评估，其中选择了羟基和亚胺官能团作为可能的等规取代氨基和酮基的化合物。较早的系列。最初的目标是1,3-二甲基-4-（亚氨基苯基甲基）-1H-吡唑-5-醇（28），就像已知的抗精神病药一样，可以在不引起共济失调的剂量下降低小鼠的自发运动，并且与已知药物不同，它在体外不与D2多巴胺受体结合。对相关化合物的SAR的检查表明，使用在吡唑环的1-位和3-位含有甲基且在苯环上具有3-氯取代基的类

  DOI：

  10.1021/jm00393a021

文献信息

• NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF
  申请人：FUJIFILM Corporation

  公开号：US20150322063A1

  公开（公告）日：2015-11-12

  A compound represented by Formula [1] (in the formula, Z 1 represents N, CH, or the like; X 1 represents NH or the like; R 1 represents a heteroaryl group or the like; each of R 2 , R 3 , and R 4 represents a hydrogen atom, a halogen atom, an alkoxy group, or the like; and R 5 represents a heteroaryl group or the like) or salt thereof.

  由式[1]表示的化合物（在该式中，Z表示N、CH或类似物；X表示NH或类似物；R表示杂环烷基或类似物；R2、R3和R4中的每一个表示氢原子、卤原子、烷氧基或类似物；R5表示杂环烷基或类似物）或其盐。
• PREVENTIVE AND/OR THERAPEUTIC DRUGS FOR INFLAMMATORY INTESTINAL DISEASES
  申请人：Mitsubishi Pharma Corporation

  公开号：EP1553087A1

  公开（公告）日：2005-07-13

  The object of the present invention is to provide a medicament useful for preventing and/or treating inflammatory bowel disease. The present invention provides a medicament for preventing and/or treating inflammatory bowel disease which comprises as an active ingredient a pyrazolone derivative represented by the following formula (I) or a physiologically acceptable salt thereof, or a hydrate thereof or a solvate thereof: wherein R1 represents a hydrogen atom, an aryl group, an alkyl group, or an alkoxycarbonylalkyl group; R2 represents a hydrogen atom, an aryloxy group, an arylmercapto group, an alkyl group or a hydroxyalkyl group; or R1 and R2 are combined with each other to represent an alkylene group; and R3 represents a hydrogen atom, an alkyl group, a cycloalkyl group, a hydroxyalkyl group, a benzyl group, a naphthyl group, a phenyl group, or a phenyl group substituted with 1 to 3 substituents selected from the group consisting of an alkyl group, an alkoxy group, a hydroxyalkyl group, an alkoxycarbonyl group, an alkylmercapto group, an alkylamino group, a dialkylamino group, a halogen atom, a trifluoromethyl group, a carboxyl group, a cyano group, a hydroxyl group, a nitro group, an amino group and an acetamide group.

  本发明的目的是提供一种用于预防和/或治疗炎性肠病的药物。本发明提供了一种药物，用于预防和/或治疗炎性肠病，其包括以下式（I）所表示的吡唑酮衍生物作为活性成分，或其生理上可接受的盐，或其水合物或溶剂化合物：其中R1表示氢原子，芳基，烷基或烷氧羰基烷基；R2表示氢原子，芳氧基，芳硫基，烷基或羟基烷基；或R1和R2结合在一起表示烷基；R3表示氢原子，烷基，环烷基，羟基烷基，苄基，萘基，苯基或苯基，其被1至3个取代基所取代，所述取代基被选自羟基烷基，烷氧基，羟基烷氧基，烷氧羰基，烷硫基，烷基氨基，二烷基氨基，卤素原子，三氟甲基基团，羧基，氰基，羟基，硝基，氨基和乙酰胺基。
• AGENT FOR PREVENTING AND/OR TREATING OPHTHALMOLOGIC DISEASES
  申请人：MITSUBISHI TANABE PHARMA CORPORATION

  公开号：US20170273949A1

  公开（公告）日：2017-09-28

  It is an object of the present invention to provide a novel medicament for preventing and/or treating ophthalmologic diseases caused by ocular angiogenesis. According to the present invention, provided is a medicament for preventing and/or treating ophthalmologic diseases caused by ocular angiogenesis, which comprises, as an active ingredient, a pyrazolone derivative such as 3-methyl-1-phenyl-2-pyrazolin-5-one, or a physiologically acceptable salt thereof, or a hydrate thereof or a solvate thereof.

  本发明的目的是提供一种新型药物，用于预防和/或治疗由眼部血管生成引起的眼科疾病。根据本发明，提供了一种用于预防和/或治疗由眼部血管生成引起的眼科疾病的药物，其包括作为活性成分的吡唑酮衍生物，如3-甲基-1-苯基-2-吡唑啉-5-酮，或其生理上可接受的盐，或其水合物或溶剂化物。
• Medicament for prevention and/or therapy of arterial wall disorder
  申请人：——

  公开号：US20040254234A1

  公开（公告）日：2004-12-16

  An object of the present invention is to provide a medicament and method which is useful for prevention and/or therapy of arterial wall injury. According to the present invention, there is provided a method for prevention and/or therapy of arterial wall injury which comprises a step of administering the pyrazolone derivative represented by the following formula (I) or the physiologically acceptable salt thereof, or the hydrate or solvate thereof in a preventively or therapeutically effective amount to mammals including humans: 1 wherein R 1 represents a hydrogen atom, an aryl group, an alkyl group, or an alkoxycarbonylalkyl group; R 2 represents a hydrogen atom, an aryloxy group, an arylmercapto group, an alkyl group or a hydroxyalkyl group; or R 1 and R 2 are combined with each other to represent an alkylene group; and R 3 represents a hydrogen atom, an alkyl group, a cycloalkyl group, a hydroxyalkyl group, a benzyl group, a naphthyl group, a phenyl group, or a phenyl group substituted with 1 to 3 substituents selected from the group consisting of an alkyl group, an alkoxy group, a hydroxyalkyl group, an alkoxycarbonyl group, an alkylmercapto group, an alkylamino group, a dialkylamino group, a halogen atom, a trifluoromethyl group, a carboxyl group, a cyano group, a hydroxyl group, a nitro group, an amino group and an acetamide group.

  本发明的目的是提供一种药物和方法，用于预防和/或治疗动脉壁损伤。根据本发明，提供了一种预防和/或治疗动脉壁损伤的方法，包括向哺乳动物，包括人类，预防性或治疗性地给予以下式（I）所表示的吡唑酮衍生物或其生理上可接受的盐，或其水合物或溶剂，以预防或治疗有效量：1其中R1表示氢原子，芳基，烷基或烷氧羰基烷基；R2表示氢原子，芳氧基，芳硫醇基，烷基或羟基烷基；或R1和R2结合在一起表示烷基；R3表示氢原子，烷基，环烷基，羟基烷基，苄基，萘基，苯基或苯基，其被1至3个取自羟基烷基，烷氧基，烷氧羰基基，烷硫基，烷基氨基，二烷基氨基，卤素原子，三氟甲基基，羧基，氰基，羟基，硝基，氨基和乙酰胺基的取代基所取代。
• Drugs comprising combination of antithrombotic agent with pyrazolone derivative
  申请人：Yamada Keiichi

  公开号：US20050009896A1

  公开（公告）日：2005-01-13

  It is intended to provide drugs for treating and/or preventing ischemic diseases which are safe and have little side effects. Namely, drugs comprising a combination of an antithrombotic agent and a pyrazolone derivative defined in the description or its pharmaceutically acceptable salt.

  本发明旨在提供一种安全并且副作用小的药物，用于治疗和/或预防缺血性疾病。即，药物包括在说明书中定义的抗血栓药物和吡唑酮衍生物的组合或其药学上可接受的盐。