2-(5-甲基-1H-吡唑-3-基)-1H-苯并咪唑 | 109073-55-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 中文名称: 2-(5-甲基-1H-吡唑-3-基)-1H-苯并咪唑
• 英文名称: 5-methyl-3-(2'-benzimidazolyl)pyrazole
• 英文别名: 1H-Benzimidazole, 2-(5-methyl-1H-pyrazol-3-yl)-；2-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole
• CAS: 109073-55-4
• 化学式: C₁₁H₁₀N₄
• mdl: MFCD09751706
• 分子量: 198.227
• InChiKey: QKIPYMLXPVRMJD-UHFFFAOYSA-N

物化性质

• 熔点：
  248-250 °C(Solv: ethanol (64-17-5); water (7732-18-5))
• 沸点：
  509.7±52.0 °C(Predicted)
• 密度：
  1.337±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  57.4
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(5-甲基-1H-吡唑-3-基)-1H-苯并咪唑 在 KNO₃ or NH₄NO₃ 作用下， 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Design, synthesis and spectroscopic characterization of palladium(II) and platinum(II) complexes of pyrazole-derived ligands with potential anti-tumour properties in its historical perspective

  摘要：

  The synthesis and physico-chemical identification of a host of new palladium(II) and platinum(II) complexes with two strategically designed pyrazole-derived ligands, 3,5-dimethyl-1-(0-aminophenyl)pyrazole (DApPz) and 5-methyl-3-(2'-benzimidazolyl) pyrazole (MBP), are described. All the reported non-electrolytic monochelates, M(DApPz)X2 and M(MBP)X2 (M = Pd(II) or Pt(II), X = a counterion) are planar species, as ascertained from electronic spectral features together with the LF parameters. The proven (N-N) bidentate nature of the pyrazole-based primary ligand(s) along with relevant IR data classify the complexes as cis derivatives. H-1 NMR data of the uncomplexed ligand(s) and of the reported diamagnetic Pd(II) and Pt(II) species (recorded in DMSO-d6 at 300 MHz) are commensurate with the conclusions (drawn from IR spectral features) that primary ligand DApPz is bonded to Pd(II) or Pt(II) through the pyrazolyl (ring) nitrogen and the amino nitrogen, and that MBP functions through N(2) of the pyrazole and N(3) of the imidazole moieties in complexation.

  DOI：

  10.1016/s0277-5387(00)83485-3
• 作为产物：
  描述：

  5-甲基-1H-吡唑-3-羧酸 、 邻苯二胺 生成 2-(5-甲基-1H-吡唑-3-基)-1H-苯并咪唑
  参考文献：
  名称：

  Saha, Nityananda; Misra, Arunabha, Journal of the Indian Chemical Society, 1993, vol. 70, # 11-12, p. 1035 - 1042

  摘要：

  DOI：

文献信息

• GLUCOKINASE ACTIVATORS
  申请人：Cao X. Sheldon

  公开号：US20070197532A1

  公开（公告）日：2007-08-23

  Compounds, pharmaceutical compositions, kits and methods are provided for use with glucokinase that comprise a compound selected from the group consisting of: wherein the variables are as defined herein.

  提供了用于与葡萄糖激酶一起使用的化合物、药物组合物、试剂盒和方法，其中包括从以下组中选择的化合物：其中变量如本文所定义。
• Benzimidazoles
  申请人：Edwards L. Michael

  公开号：US20060014756A1

  公开（公告）日：2006-01-19

  The invention is directed to physiologically active compounds of the general formula (Ix) and compositions containing such compounds, and their prodrugs, and pharmaceutically acceptable salts and solvates of such compounds and their prodrugs, as well as to novel compounds within the scope of formula (Ix), and to processes for their preparation. Such compounds and compositions have valuable pharmaceutical properties, in particular the ability to inhibit kinases.

  本发明涉及一般式（Ix）的生理活性化合物及含有这种化合物的组合物，以及它们的前药、药学上可接受的盐和溶剂化物，还涉及在式（Ix）范围内的新化合物和它们的制备方法。这种化合物和组合物具有有价值的药物性质，特别是抑制激酶的能力。
• ESSASSI E. M.; FIFANI J., BULL. SOC. CHIM. BELG., 96,(1987) N 1, 63-67
  作者：ESSASSI E. M.、 FIFANI J.

  DOI：——

  日期：——
• BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS
  申请人：Aventis Pharmaceuticals Inc.

  公开号：EP1441725A1

  公开（公告）日：2004-08-04
• US6897208B2
  申请人：——

  公开号：US6897208B2

  公开（公告）日：2005-05-24