2-[(6-Chloropyridin-3-yl)methyl]-5-phenylpyrazole-3-carbohydrazide | 955084-66-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-[(6-Chloropyridin-3-yl)methyl]-5-phenylpyrazole-3-carbohydrazide
• CAS: 955084-66-9
• 化学式: C₁₆H₁₄ClN₅O
• 分子量: 327.773
• InChiKey: QMMYTSNPPYOKIJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  85.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-[(6-Chloropyridin-3-yl)methyl]-5-phenylpyrazole-3-carbohydrazide 、 水杨醛 以 乙醇 为溶剂， 以89%的产率得到2-[(6-chloropyridin-3-yl)methyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]-5-phenylpyrazole-3-carboxamide
  参考文献：
  名称：

  Synthesis and structure–activity relationships of novel 1-arylmethyl-3-aryl-1H-pyrazole-5-carbohydrazide hydrazone derivatives as potential agents against A549 lung cancer cells

  摘要：

  A series of novel 1-arylmethyl-3-aryl-1H-pyrazole-5-carbohydrazide hydrazone derivatives were synthesized and the effects of all the compounds on A549 cell growth were investigated. The results showed that all compounds had almost inhibitory effects on the growth of A549 cells. The study on structure-activity relationships and prediction of lipophilicities of compounds showed that compounds with Log P values in the range of 4.12-6.80 had inhibitory effects on the growth of A549 cells, and among of them the hydrazone derived from salicylaldehyde had much more inhibitory effects. (C) 2008 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2008.01.021
• 作为产物：
  描述：

  Ethyl 1-[(6-chloropyridin-3-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxylate 在 一水合肼 作用下， 以 甲醇 为溶剂， 以86%的产率得到2-[(6-Chloropyridin-3-yl)methyl]-5-phenylpyrazole-3-carbohydrazide
  参考文献：
  名称：

  Synthesis and structure–activity relationships of novel 1-arylmethyl-3-aryl-1H-pyrazole-5-carbohydrazide derivatives as potential agents against A549 lung cancer cells

  摘要：

  A series of novel 1-arylmethyl-3-aryl- 1 H-pyrazole-5-carbohydrazide derivatives were synthesized, and the effects of all the compounds on A549 cell growth were investigated. The results showed that all the nine compounds had inhibitory effects on the growth of A549 cells and induced the cell apoptosis. The study on Structure-activity relationships and prediction of lipophilicities Of compounds showed that compounds with log P values in the range of 3.12-4.94 had more inhibitory effects oil the growth of A549 cells. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.08.021

文献信息

• Synthesis and structure–activity relationships of novel 1-arylmethyl-3-aryl-1H-pyrazole-5-carbohydrazide hydrazone derivatives as potential agents against A549 lung cancer cells
  作者：Yong Xia、Chuan-Dong Fan、Bao-Xiang Zhao、Jing Zhao、Dong-Soo Shin、Jun-Ying Miao

  DOI：10.1016/j.ejmech.2008.01.021

  日期：2008.11

  A series of novel 1-arylmethyl-3-aryl-1H-pyrazole-5-carbohydrazide hydrazone derivatives were synthesized and the effects of all the compounds on A549 cell growth were investigated. The results showed that all compounds had almost inhibitory effects on the growth of A549 cells. The study on structure-activity relationships and prediction of lipophilicities of compounds showed that compounds with Log P values in the range of 4.12-6.80 had inhibitory effects on the growth of A549 cells, and among of them the hydrazone derived from salicylaldehyde had much more inhibitory effects. (C) 2008 Elsevier Masson SAS. All rights reserved.
• Synthesis and structure–activity relationships of novel 1-arylmethyl-3-aryl-1H-pyrazole-5-carbohydrazide derivatives as potential agents against A549 lung cancer cells
  作者：Yong Xia、Zhi-Wu Dong、Bao-Xiang Zhao、Xiao Ge、Ning Meng、Dong-Soo Shin、Jun-Ying Miao

  DOI：10.1016/j.bmc.2007.08.021

  日期：2007.11

  A series of novel 1-arylmethyl-3-aryl- 1 H-pyrazole-5-carbohydrazide derivatives were synthesized, and the effects of all the compounds on A549 cell growth were investigated. The results showed that all the nine compounds had inhibitory effects on the growth of A549 cells and induced the cell apoptosis. The study on Structure-activity relationships and prediction of lipophilicities Of compounds showed that compounds with log P values in the range of 3.12-4.94 had more inhibitory effects oil the growth of A549 cells. (C) 2007 Elsevier Ltd. All rights reserved.