5-methyl-7-(3,5-di-t-butyl-4-hydroxyphenyl)aminopyrazolo[1,5-a]pyrimidine | 137739-29-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并嘧啶类
• 英文名称: 5-methyl-7-(3,5-di-t-butyl-4-hydroxyphenyl)aminopyrazolo[1,5-a]pyrimidine
• 英文别名: 2,6-Ditert-butyl-4-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenol
• CAS: 137739-29-8
• 化学式: C₂₁H₂₈N₄O
• 分子量: 352.48
• InChiKey: SOQZXCXVEJBXIG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  62.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-methyl-7-chlorohyrazolo[1,5-a]-pyrimidine 、 3,5-二叔丁基-4-羟基苯胺盐酸盐 生成 5-methyl-7-(3,5-di-t-butyl-4-hydroxyphenyl)aminopyrazolo[1,5-a]pyrimidine
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVE AND ANTI-INFLAMMATORY CONTAINING THE SAME
  申请人：OTSUKA PHARMACEUTICAL FACTORY, INC.

  公开号：EP0591528A1

  公开（公告）日：1994-04-13

  Pyrazolo[1,5-a]pyrimidine derivatives represented by general formula (I), wherein R₁, R₂, R₃ and R₄ represent each hydrogen, carboxyl, lower alkoxycarbonyl, phenyl, or lower alkyl or cycloalkyl which may be each substituted with hydroxy, carboxyl or lower alkoxycarbonyl, or alternatively R₁ and R₂ maybe combined together to form lower alkylene; R₅ represents -SR₆ or -NR₇R₈; R₆ represents pyridyl or phenyl which may be substituted with one to three groups selected from among hydroxy and lower alkyl and R₇ and R₈ represent each hydrogen or phenyl which may be substituted with one to three groups selected from among hydroxy, lower alkyl, lower alkoxycarbonyl and carboxyl, or alternatively R₇ and R₈ may be combined to form, together with the nitrogen atom to which they are bound, 1-pyrrolidinyl, 2-oxo-1-pyrrolidinyl, phenyl which may be substituted with halogen or trihalomethyl, or 1-piperazinyl which may be substituted with hydroxy-lower alkyl or diphenyl-lower alkyl, salts thereof, and an anti-inflammatory containing as the active ingredient the compound with the above formula wherein R₁, R₃ and R₄ represent each hydrogen, R₂ represents lower alkyl or cycloalkyl, and R₅ represents -NR₇R₈ wherein R₇ represents hydrogen and R₈ represents phenyl substituted with hydroxy and two lower alkyl groups.

  通式(I)代表的吡唑并[1,5-a]嘧啶衍生物，其中 R₁、R₂、R₃ 和 R₄ 分别代表氢、羧基、低级烷氧羰基、苯基或可分别被羟基、羧基或低级烷氧羰基取代的低级烷基或环烷基，或者 R₁ 和 R₂ 可结合在一起形成低级亚烷基；R₅ 代表-SR₆ 或-NR₇R₈；R₆代表吡啶基或苯基，可被一至三个选自羟基和低级烷基的基团取代；R₇和R₈分别代表氢或苯基，可被一至三个选自羟基、低级烷基、低级烷氧基羰基和低级烷氧基羰基的基团取代、R₇和R₈各自代表氢或苯基，苯基可被选自羟基、低级烷基、低级烷氧羰基和羧基中的一至三个基团取代，或者R₇和R₈可与它们结合的氮原子结合形成1-吡咯烷基、2-氧代-1-吡咯烷基、可被卤素或三卤甲基取代的苯基，或可被羟基-低级烷基或二苯基-低级烷基取代的 1-哌嗪基，其盐，以及含有上式化合物作为活性成分的消炎药，其中 R₁、代表氢，R₂ 代表低级烷基或环烷基，R₅ 代表 -NR₇R₈ 其中 R₇ 代表氢，R₈ 代表被羟基和两个低级烷基取代的苯基。
• PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVE AND ANTI-INFLAMMATORY CONTAINING THE SAME
  申请人：OTSUKA PHARMACEUTICAL FACTORY, INC.

  公开号：EP0591528B1

  公开（公告）日：1998-12-23
• US5688949A
  申请人：——

  公开号：US5688949A

  公开（公告）日：1997-11-18