3H-吡唑-3-酮,2-(3,4-二甲氧苯基)-2,4-二氢-5-甲基- | 18048-62-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3H-吡唑-3-酮,2-(3,4-二甲氧苯基)-2,4-二氢-5-甲基-
• 英文名称: 3-methyl-1-(3,4-dimethoxylphenyl)-2-pyrazolin-5-one
• 英文别名: 2-(3,4-dimethoxyphenyl)-5-methyl-4H-pyrazol-3-one
• CAS: 18048-62-9
• 化学式: C₁₂H₁₄N₂O₃
• 分子量: 234.255
• InChiKey: LDSJFQFZGIHBAW-UHFFFAOYSA-N

物化性质

• 熔点：
  155-157 °C
• 沸点：
  427.6±35.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  51.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3H-吡唑-3-酮,2-(3,4-二甲氧苯基)-2,4-二氢-5-甲基- 、 氢溴酸 、 水 生成 2-(3,4-二羟基苯基)-5-甲基-2,4-二氢-3H-吡唑-3-酮
  参考文献：
  名称：

  NISHI, HIROYOSHI;WATANABE, TOSHIAKI;YUKI, SATOSHI;MORINAKA, YASUHIRO;ISEK+

  摘要：

  DOI：
• 作为产物：
  描述：

  3,4-二甲氧基苯肼 、 乙酰乙酸乙酯 、 乙醇 生成 3H-吡唑-3-酮,2-(3,4-二甲氧苯基)-2,4-二氢-5-甲基-
  参考文献：
  名称：

  NISHI, HIROYOSHI;WATANABE, TOSHIAKI;YUKI, SATOSHI;MORINAKA, YASUHIRO;ISEK+

  摘要：

  DOI：

文献信息

• 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。
• NOVEL THERAPEUTIC AGENT FOR AMYOTROPHIC LATERAL SCLEROSIS (ALS) OR DISEASE ATTRIBUTABLE TO ALS
  申请人：Mitsubishi Pharma Corporation

  公开号：EP1714960A1

  公开（公告）日：2006-10-25

  There is provided a medicament for treating amyotrophic lateral sclerosis (ALS) or symptoms caused by ALS and/or suppressing the progression thereof, which is characterized in the usage, dosage and administration period of the pyrazolone derivative represented by the following formula (wherein each symbol indicates the same meaning as that defined in the specification):

  本发明提供了一种用于治疗肌萎缩性脊髓侧索硬化症（ALS）或 ALS 引起的症状和/或抑制其进展的药物，其特征在于下式（其中各符号表示与说明书中定义的含义相同）所代表的吡唑酮衍生物的用法、用量和给药期：