methyl 5-methyl-1-(phenylmethyl)-1H-pyrazole-3-carboxylate | 80326-68-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: methyl 5-methyl-1-(phenylmethyl)-1H-pyrazole-3-carboxylate
• 英文别名: methyl 1-benzyl-5-methylpyrazole-3-carboxylate；1-benzyl-5-methyl-1H-pyrazole-3-carboxylic acid methyl ester；1-Benzyl-5-methyl-pyrazol-carbonsaeure-(3)-methylester
• CAS: 80326-68-7
• 化学式: C₁₃H₁₄N₂O₂
• 分子量: 230.266
• InChiKey: WSYSLNXVSPYTBX-UHFFFAOYSA-N

物化性质

• 沸点：
  377.1±30.0 °C(Predicted)
• 密度：
  1.13±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 5-methyl-1-(phenylmethyl)-1H-pyrazole-3-carboxylate 在 sodium hydroxide 作用下， 反应 2.25h， 生成 1-苄基-5-甲基吡唑
  参考文献：
  名称：

  Begtrup, Mikael; Vedso, Per, Journal of the Chemical Society. Perkin transactions I, 1992, # 19, p. 2555 - 2564

  摘要：

  DOI：
• 作为产物：
  描述：

  2-(苄基氨基)丙酸乙酯 在 盐酸 、 sodium hydroxide 、 乙酸酐 、 sodium nitrite 作用下， 反应 87.0h， 生成 methyl 5-methyl-1-(phenylmethyl)-1H-pyrazole-3-carboxylate
  参考文献：
  名称：

  On the problem of regioselectivity in the 1,3-dipolar cycloaddition reaction of munchnones and sydnones with acetylenic dipolarophiles

  摘要：

  DOI：

  10.1021/jo00344a008

文献信息

• Compounds
  申请人：MISSION THERAPEUTICS LIMITED

  公开号：US11130748B2

  公开（公告）日：2021-09-28

  The present invention relates to novel compounds and methods for the manufacture of inhibitors of deubiquitylating enzymes (DUBs). In particular, the invention relates to the inhibition of ubiquitin C-terminal hydrolase 30 or Ubiquitin Specific Peptidase 30 (USP30). The invention further relates to the use of DUB inhibitors in the treatment of conditions involving mitochondrial dysfunction and cancer. Compounds of the invention include compounds having the formula (I): (I) or a pharmaceutically acceptable salt thereof, wherein R1a, R1b, R1c, R1d, R1e, R1f, R1g, R2, X, L and A are as defined herein.

  本发明涉及新型化合物和制造去泛素化酶（DUB）抑制剂的方法。特别是，本发明涉及泛素 C 端水解酶 30 或泛素特异性肽酶 30（USP30）的抑制。本发明还涉及 DUB 抑制剂在治疗线粒体功能障碍和癌症方面的用途。本发明的化合物包括具有式（I）的化合物：(I)或其药学上可接受的盐，其中R1a、R1b、R1c、R1d、R1e、R1f、R1g、R2、X、L和A如本文所定义。
• Begtrup Mikael, Vedso Per, J. Chem. Soc. Perkin Trans. 1, (1992) N 19, S 2555-2563
  作者：Begtrup Mikael, Vedso Per

  DOI：——

  日期：——
• Novel Compounds
  申请人：MISSION THERAPEUTICS LIMITED

  公开号：US20200172516A1

  公开（公告）日：2020-06-04

  The present invention relates to novel compounds and methods for the manufacture of inhibitors of deubiquitylating enzymes (DUBs). In particular, the invention relates to the inhibition of ubiquitin C-terminal hydrolase 30 or Ubiquitin Specific Peptidase 30 (USP30). The invention further relates to the use of DUB inhibitors in the treatment of conditions involving mitochondrial dysfunction and cancer. Compounds of the invention include compounds having the formula (I): (I) or a pharmaceutically acceptable salt thereof, wherein R 1a , R 1b , R 1c , R 1d , R 1e , R 1f , R 1g , R 2 , X, L and A are as defined herein.