5-(3,4-difluorophenyl)-1H-pyrazole-4-carbaldehyde | 1152541-11-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-(3,4-difluorophenyl)-1H-pyrazole-4-carbaldehyde
• CAS: 1152541-11-1
• 化学式: C₁₀H₆F₂N₂O
• 分子量: 208.167
• InChiKey: ZMFNUIPRSSKCFY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  45.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-Imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one 、 5-(3,4-difluorophenyl)-1H-pyrazole-4-carbaldehyde 在 sodium acetate 作用下， 以 溶剂黄146 为溶剂， 生成 5-[[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
  参考文献：
  名称：

  Structure–activity relationship study of a novel necroptosis inhibitor, necrostatin-7

  摘要：

  Necroptosis is a regulated caspase-independent cell death mechanism characterized by morphological features resembling non-regulated necrosis. Necrotatin-7 (Nec-7), a novel potent small-molecule inhibitor of necroptosis, is structurally distinct from previously described necrostatins (Nec-1, Nec-3, Nec-4 and Nec-5). Here, we describe a series of structural modi. cations and the structure-activity relationship (SAR) of the Nec-7 series for inhibiting necroptosis. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.08.058
• 作为产物：
  描述：

  [1-(3,4-Difluorophenyl)ethylideneamino]urea 、 N,N-二甲基甲酰胺 在 三氯氧磷 、 sodium hydroxide 、 水 作用下， 生成 5-(3,4-difluorophenyl)-1H-pyrazole-4-carbaldehyde
  参考文献：
  名称：

  Structure–activity relationship study of a novel necroptosis inhibitor, necrostatin-7

  摘要：

  Necroptosis is a regulated caspase-independent cell death mechanism characterized by morphological features resembling non-regulated necrosis. Necrotatin-7 (Nec-7), a novel potent small-molecule inhibitor of necroptosis, is structurally distinct from previously described necrostatins (Nec-1, Nec-3, Nec-4 and Nec-5). Here, we describe a series of structural modi. cations and the structure-activity relationship (SAR) of the Nec-7 series for inhibiting necroptosis. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.08.058

文献信息

• Structure–activity relationship study of a novel necroptosis inhibitor, necrostatin-7
  作者：Weihong Zheng、Alexei Degterev、Emily Hsu、Junying Yuan、Chengye Yuan

  DOI：10.1016/j.bmcl.2008.08.058

  日期：2008.9

  Necroptosis is a regulated caspase-independent cell death mechanism characterized by morphological features resembling non-regulated necrosis. Necrotatin-7 (Nec-7), a novel potent small-molecule inhibitor of necroptosis, is structurally distinct from previously described necrostatins (Nec-1, Nec-3, Nec-4 and Nec-5). Here, we describe a series of structural modi. cations and the structure-activity relationship (SAR) of the Nec-7 series for inhibiting necroptosis. (C) 2008 Elsevier Ltd. All rights reserved.