(1H-benz[d]imidazol-2-yl)(4-(4-fluorobenzyl)piperazin-1-yl)methanone | 1146213-84-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: (1H-benz[d]imidazol-2-yl)(4-(4-fluorobenzyl)piperazin-1-yl)methanone
• 英文别名: 1H-benzimidazol-2-yl-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
• CAS: 1146213-84-4
• 化学式: C₁₉H₁₉FN₄O
• 分子量: 338.384
• InChiKey: FMBTWVWDBWBFLB-UHFFFAOYSA-N

物化性质

• 熔点：
  208.9 °C
• 沸点：
  519.3±60.0 °C(predicted)
• 密度：
  1.333±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  52.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (1H-benz[d]imidazol-2-yl)(4-(4-fluorobenzyl)piperazin-1-yl)methanone 、 碘甲烷 在 sodium hydride 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 反应 13.0h， 以83%的产率得到(4-(4-fluorobenzyl)piperazin-1-yl)(1-methyl-1H-benzo[d]imidazol-2-yl)methanone
  参考文献：
  名称：

  Investigations of SCIO-469-like compounds for the inhibition of p38 MAP kinase

  摘要：

  The p38 MAP kinase is implicated in the release of the pro-inflammatory cytokines TNF alpha and IL-1b. Inhibition of cytokine release may be a useful treatment for inflammatory conditions such as rheumatoid arthritis and Crohn's disease. A new lead structure for p38 MAP kinase inhibition was identified. Herein, we report the SAR of this new class of p38 inhibitors. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.01.023
• 作为产物：
  描述：

  1-(4-氟苄基)哌嗪 、 2-(三氯甲基)-苯并咪唑 在 水 、 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 24.0h， 以42%的产率得到(1H-benz[d]imidazol-2-yl)(4-(4-fluorobenzyl)piperazin-1-yl)methanone
  参考文献：
  名称：

  Investigations of SCIO-469-like compounds for the inhibition of p38 MAP kinase

  摘要：

  The p38 MAP kinase is implicated in the release of the pro-inflammatory cytokines TNF alpha and IL-1b. Inhibition of cytokine release may be a useful treatment for inflammatory conditions such as rheumatoid arthritis and Crohn's disease. A new lead structure for p38 MAP kinase inhibition was identified. Herein, we report the SAR of this new class of p38 inhibitors. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.01.023

文献信息

• Investigations of SCIO-469-like compounds for the inhibition of p38 MAP kinase
  作者：Stefan Laufer、Frank Lehmann

  DOI：10.1016/j.bmcl.2009.01.023

  日期：2009.3

  The p38 MAP kinase is implicated in the release of the pro-inflammatory cytokines TNF alpha and IL-1b. Inhibition of cytokine release may be a useful treatment for inflammatory conditions such as rheumatoid arthritis and Crohn's disease. A new lead structure for p38 MAP kinase inhibition was identified. Herein, we report the SAR of this new class of p38 inhibitors. (C) 2009 Elsevier Ltd. All rights reserved.