1-(3-methylbenzyl)-4-nitro-1H-pyrazole

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 1-(3-methylbenzyl)-4-nitro-1H-pyrazole
• 英文别名: 1-[(3-methylphenyl)methyl]-4-nitropyrazole
• 化学式: C11H11N3O2
• mdl: MFCD03087887
• 分子量: 217.22
• InChiKey: RWAXUQGGIRTSSW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.181
• 拓扑面积：
  63.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-硝基吡唑 、 3-甲基苄溴 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 生成 1-(3-methylbenzyl)-4-nitro-1H-pyrazole
  参考文献：
  名称：

  TUBULIN POLYMERIZATION INHIBITORS

  摘要：

  The present invention relates to a compound of formula (I) or a pharmaceutically acceptable salt and/or solvate thereof, wherein B is an aryl or a five- or six-membered heteroaryl, and R1-R5, V, W, Y and Z may be various groups. The compounds according to the invention are useful as tubulin polymerization inhibitors, in particular for use in the treatment of hematological disorders and/or proliferative disorders.

  公开号：

  WO2024146923A1

文献信息

• TUBULIN POLYMERIZATION INHIBITORS
  申请人：[en]AB SCIENCE

  公开号：WO2024146923A1

  公开（公告）日：2024-07-11

  The present invention relates to a compound of formula (I) or a pharmaceutically acceptable salt and/or solvate thereof, wherein B is an aryl or a five- or six-membered heteroaryl, and R1-R5, V, W, Y and Z may be various groups. The compounds according to the invention are useful as tubulin polymerization inhibitors, in particular for use in the treatment of hematological disorders and/or proliferative disorders.