4,5-Pentamethylen-3-methylpyrazol | 15419-73-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4,5-Pentamethylen-3-methylpyrazol
• 英文别名: 3-methyl-1(2),4,5,6,7,8-hexahydro-cycloheptapyrazole；3-Methyl-1(2),4,5,6,7,8-hexahydro-cycloheptapyrazol；3-methyl-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole
• CAS: 15419-73-5
• 化学式: C₉H₁₄N₂
• 分子量: 150.224
• InChiKey: WNKIONISJOAGGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  28.7
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2-acetylcycloheptanone 在 水 、 一水合肼 作用下， 生成 4,5-Pentamethylen-3-methylpyrazol
  参考文献：
  名称：

  Buchta; Kranz, Justus Liebigs Annalen der Chemie, 1956, vol. 601, p. 170,175

  摘要：

  DOI：

文献信息

• Preventive and/or Therapeutic Agent For Disease In Which Mitochondrial Benzodiazephine Receptor Participates
  申请人：Ohmoto Kazuyuki

  公开号：US20080249154A1

  公开（公告）日：2008-10-09

  A compound represented by formula (I) (wherein ring A is a nitrogen-containing ring which may have a substituent(s), E is a binding bond or a spacer of which main chain has an atom number of 1-8, Q is a hydrogen atom, a hydrocarbon group which may have a substituent(s) or a cyclic group which may have a substituent(s).), a salt thereof, an N-oxide thereof, a solvate thereof, or a prodrug thereof. Since the compounds of the present invention represented by formula (I), a salt thereof, an N-oxide thereof or a solvate thereof, or a prodrug thereof have the affinity to MBR, they are useful for the prevention and/or treatment for disease caused by stress.

  化合物的化学式为(I)，其中环A是含氮环，可能有取代基；E是一个键合或一个带有1-8个原子的主链间隔物；Q是氢原子、一个可带有取代基的碳氢基团或一个可带有取代基的环状基团。该化合物的盐、N-氧化物、溶剂化合物或前药也在本发明的范围内。由于本发明化合物（I）、其盐、N-氧化物或溶剂化合物或前药具有与MBR的亲和性，它们可用于预防和/或治疗由压力引起的疾病。
• Selective inhibitors of clinically important mutants of the EGFR tyrosine kinase
  申请人：CS PHARMATECH LIMITED

  公开号：US10435388B2

  公开（公告）日：2019-10-08

  The present invention provides compounds of Formula (I) or a subgeneric structure or species thereof or a pharmaceutically acceptable salt, ester, solvate, and/or prodrug thereof and methods and compositions for treating or ameliorating abnormal cell proliferative disorders, such as cancer, wherein A, R2, R3, R10, E1, E2, E3, Y, and Z are as defined herein.

  本发明提供了式(I)化合物或其亚属结构或种类或其药学上可接受的盐、酯、溶液剂和/或原药，以及用于治疗或改善异常细胞增殖性疾病（如癌症）的方法和组合物，其中A、R2、R3、R10、E1、E2、E3、Y和Z如本文所定义。
• Treibs; Neupert, Justus Liebigs Annalen der Chemie, 1955, vol. 595, p. 219,221
  作者：Treibs、Neupert

  DOI：——

  日期：——
• SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE
  申请人：CS PHARMATECH LIMITED

  公开号：US20190023689A1

  公开（公告）日：2019-01-24

  The present invention provides compounds of Formula (I) or a subgeneric structure or species thereof or a pharmaceutically acceptable salt, ester, solvate, and/or prodrug thereof and methods and compositions for treating or ameliorating abnormal cell proliferative disorders, such as cancer, wherein A, R 2 , R 3 , R 10 , E 1 , E 2 , E 3 , Y, and Z are as defined herein.