(3,4-二氯苯基)(4-甲基苯基)甲酮 | 125016-15-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: (3,4-二氯苯基)(4-甲基苯基)甲酮
• 英文名称: 3,4-Dichlor-4'-methyl-benzophenon
• 英文别名: 3,4-Dichloro-4'-methylbenzophenone；(3,4-dichlorophenyl)-(4-methylphenyl)methanone
• CAS: 125016-15-1
• 化学式: C₁₄H₁₀Cl₂O
• mdl: MFCD06201533
• 分子量: 265.139
• InChiKey: LZLBIHAQSYPNKX-UHFFFAOYSA-N

物化性质

• 熔点：
  195.7-196 °C(Solv: acetic acid (64-19-7))
• 沸点：
  398.9±37.0 °C(Predicted)
• 密度：
  1.276±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.071
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2914700090

反应信息

• 作为反应物：
  描述：

  (3,4-二氯苯基)(4-甲基苯基)甲酮 、 氨基硫脲 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 72.0h， 以19%的产率得到(E)-(3,4-dichlorophenyl)(4-methylphenyl)methanone thiosemicarbazone
  参考文献：
  名称：

  Discovery of potent thiosemicarbazone inhibitors of rhodesain and cruzain

  摘要：

  Herein we report the synthesis and evaluation of a series of thiosemicarbazones as potential inhibitors of cysteine proteases relevant to parasitic diseases. Derivatives of thiosemicarbazone 1 were discovered to be potent inhibitors of cruzain and rhodesain, crucial proteases in the life cycles of Trypanosoma cruzi and T. brucei rhodesiense, the organisms causing Chagas' disease and sleeping sickness. However, the entire series had only modest potency against falcipain-2, an essential protease for Plasmodium falciparum, the organism causing malaria. Among the active inhibitors, several potently inhibited proliferation of cultures of T. brucei. However, only modest activity was observed in inhibition of proliferation of T. cruzi or P. falciparum. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.10.023
• 作为产物：
  描述：

  3,4-二氯苯甲酸 在 三氯化铝 、 氯化亚砜 作用下， 以 邻二氯苯 为溶剂， 生成 (3,4-二氯苯基)(4-甲基苯基)甲酮
  参考文献：
  名称：

  Slootmaekers,P.J.; Verbeerst,R., Bulletin des Societes Chimiques Belges, 1968, vol. 77, p. 273 - 285

  摘要：

  DOI：

文献信息

• Slootmaekers,P.J.; Verbeerst,R., Bulletin des Societes Chimiques Belges, 1968, vol. 77, p. 273 - 285
  作者：Slootmaekers,P.J.、Verbeerst,R.

  DOI：——

  日期：——
• Discovery of potent thiosemicarbazone inhibitors of rhodesain and cruzain
  作者：Naoaki Fujii、Jeremy P. Mallari、Elizabeth J. Hansell、Z. Mackey、Patricia Doyle、Y.M. Zhou、Jiri Gut、Philip J. Rosenthal、James H. McKerrow、R. Kiplin Guy

  DOI：10.1016/j.bmcl.2004.10.023

  日期：2005.1

  Herein we report the synthesis and evaluation of a series of thiosemicarbazones as potential inhibitors of cysteine proteases relevant to parasitic diseases. Derivatives of thiosemicarbazone 1 were discovered to be potent inhibitors of cruzain and rhodesain, crucial proteases in the life cycles of Trypanosoma cruzi and T. brucei rhodesiense, the organisms causing Chagas' disease and sleeping sickness. However, the entire series had only modest potency against falcipain-2, an essential protease for Plasmodium falciparum, the organism causing malaria. Among the active inhibitors, several potently inhibited proliferation of cultures of T. brucei. However, only modest activity was observed in inhibition of proliferation of T. cruzi or P. falciparum. (C) 2004 Elsevier Ltd. All rights reserved.