3-methyl-5-pyrazoleacetic acid | 41669-06-1

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-methyl-5-pyrazoleacetic acid
• 英文别名: 2-(5-methyl-1H-pyrazol-3-yl)acetic acid
• CAS: 41669-06-1
• 化学式: C₆H₈N₂O₂
• mdl: MFCD03990567
• 分子量: 140.142
• InChiKey: XSRSEEZCZRABDP-UHFFFAOYSA-N

物化性质

• 沸点：
  376.5±27.0 °C(Predicted)
• 密度：
  1.338±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  66
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-methyl-5-pyrazoleacetic acid 在 哌啶 、 sodium acetate 、 溶剂黄146 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 36.0h， 生成 5-[β-(4'-hydroxy-3',5'-di-t-butylphenyl)ethenyl]-1,3-dimethylpyrazole
  参考文献：
  名称：

  Styrylpyrazoles, styrylisoxazoles, and styrylisothiazoles. Novel 5-lipoxygenase and cyclooxygenase inhibitors

  摘要：

  A series of styrylpyrazoles, styrylisoxazoles, and styrylisothiazoles were prepared and found to be dual inhibitors of 5-lipoxygenase and cyclooxygenase in rat basophilic leukemia cells. Compounds from this series also were found to inhibit the in vivo production of LTB4 when dosed orally in rats. Among these compounds, di-tert-butylphenols 19 and 33 exhibit oral activity in various models of inflammation and, most importantly, are devoid of ulcerogenic potential.

  DOI：

  10.1021/jm00106a006
• 作为产物：
  描述：

  6-methyl-pyran-2,4-dione 在 甲醇 、 sodium hydroxide 、 一水合肼 作用下， 反应 2.0h， 生成 3-methyl-5-pyrazoleacetic acid
  参考文献：
  名称：

  Reactions of Hydrazines with γ-Pyrones

  摘要：

  DOI：

  10.1021/ja01641a018

文献信息

• Process of preparing pyrazoles, isoxazoles and analogs thereof having
  申请人：Warner-Lambert Company

  公开号：US04877881A1

  公开（公告）日：1989-10-31

  The present invention is 3,5-substituted, isoxazoles, pyrazoles, isothiazoles, and analogs thereof having 5-lipoxygenase or cyclooxygenase inhibiting activity or as a sunscreen.

  本发明是具有5-脂氧合酶或环氧合酶抑制活性或作为防晒剂的3,5-取代的异恶唑、吡唑、异噻唑及其类似物。
• Novel process for the preparation of pyrazoles from isoxazoles
  申请人：Warner-Lambert Company

  公开号：US04924002A1

  公开（公告）日：1990-05-08

  The present invention is a process in which isoxazoles are treated with Mo(CO).sub.6 and then hydrazine to obtain corresponding pyrazoles.

  本发明是一种将异噁唑与Mo(CO).sub.6反应，然后再与肼反应得到相应吡唑的过程。
• Styryl pyrazoles, isoxazoles and analogs thereof having activity as
  申请人：Warner-Lambert Company

  公开号：US05208251A1

  公开（公告）日：1993-05-04

  The present invention is 3,5-substituted, isoxazoles, pyrazoles, isothiazoles, and analogs thereof having 5-lipoxygenase or cyclooxygenase inhibiting activity or as a sunscreen.

  本发明涉及3,5-取代的异噁唑、吡唑、异硫唑及其类似物，具有5-脂氧合酶或环氧合酶抑制活性或作为防晒剂。
• Quinolinone derivatives as inhibitors of c-fms kinase
  申请人：Wall J. Mark

  公开号：US20050049274A1

  公开（公告）日：2005-03-03

  The invention is directed to compounds of Formulae I and II: wherein R 1 , R 2 , R 3 , R 5 , R 6 , Y 1 , Y 2 , Y 3 , Y 4 and X are set forth in the specification, as well as solvates, hydrates, tautomers or pharmaceutically acceptable salts thereof, that inhibit protein tyrosine kinases, especially c-fms kinase.

  本发明涉及公式I和II的化合物：其中R1、R2、R3、R5、R6、Y1、Y2、Y3、Y4和X如规范中所示，以及其溶剂化物、水合物、互变异构体或药学上可接受的盐，它们能够抑制蛋白酪氨酸激酶，特别是c-fms激酶。
• THERAPEUTIC PIPERAZINES
  申请人：Kaplan Alan P.

  公开号：US20110065691A1

  公开（公告）日：2011-03-17

  The invention includes a compound of formula I: wherein R 1 , Y, A, n, R 4 and Z have any of the values described herein, as well as salts of such compounds, compositions comprising such compounds, and therapeutic methods that comprise the administration of such compounds. The compounds are inhibitors of PDE4 function and are useful for improving cognitive function and/or treating cognitive disorders or impairment, traumatic and/or ischemic injuries of the central and peripheral nervous system and/or psychiatric disorders in animals, especially humans.

  本发明涉及公式I的化合物：其中R1，Y，A，n，R4和Z具有本文所述的任何值，以及这些化合物的盐，包含这些化合物的组合物和治疗方法，包括给予这些化合物的管理。这些化合物是PDE4功能抑制剂，对于改善认知功能和/或治疗动物（特别是人类）的认知障碍或损伤、中枢和周围神经系统的创伤性和/或缺血性损伤和/或精神障碍非常有用。