2-Bromo-4-(2-chlorophenyl)sulfanylbenzaldehyde | 1226773-48-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-Bromo-4-(2-chlorophenyl)sulfanylbenzaldehyde
• 英文别名: 2-bromo-4-(2-chlorophenyl)sulfanylbenzaldehyde
• CAS: 1226773-48-3
• 化学式: C₁₃H₈BrClOS
• 分子量: 327.629
• InChiKey: PNNMRNWWLFEPHU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-Bromo-4-(2-chlorophenyl)sulfanylbenzaldehyde 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 生成 [2-Bromo-4-(2-chlorophenyl)sulfanylphenyl]methanol
  参考文献：
  名称：

  Discovery of Novel Benzoxaborole-Based Potent Antitrypanosomal Agents

  摘要：

  We report the discovery of benzoxaborole antitrypanosomal agents and their structure activity relationships on central linkage groups and different substitution patterns in the sulfur-linked series. The compounds showed in vitro growth inhibition IC(50) values as low as 0.02 mu g/mL and in vivo efficacy in acute murine infection models against nryapnosoma brucei.

  DOI：

  10.1021/ml100013s
• 作为产物：
  描述：

  邻氯苯硫酚 、 2-溴-4-氟苯甲醛 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-Bromo-4-(2-chlorophenyl)sulfanylbenzaldehyde
  参考文献：
  名称：

  Discovery of Novel Benzoxaborole-Based Potent Antitrypanosomal Agents

  摘要：

  We report the discovery of benzoxaborole antitrypanosomal agents and their structure activity relationships on central linkage groups and different substitution patterns in the sulfur-linked series. The compounds showed in vitro growth inhibition IC(50) values as low as 0.02 mu g/mL and in vivo efficacy in acute murine infection models against nryapnosoma brucei.

  DOI：

  10.1021/ml100013s

文献信息

• Discovery of Novel Benzoxaborole-Based Potent Antitrypanosomal Agents
  作者：Dazhong Ding、Yaxue Zhao、Qingqing Meng、Dongsheng Xie、Bakela Nare、Daitao Chen、Cyrus J. Bacchi、Nigel Yarlett、Yong-Kang Zhang、Vincent Hernandez、Yi Xia、Yvonne Freund、Maha Abdulla、Kean-Hooi Ang、Joseline Ratnam、James H. McKerrow、Robert T. Jacobs、Huchen Zhou、Jacob J. Plattner

  DOI：10.1021/ml100013s

  日期：2010.7.8

  We report the discovery of benzoxaborole antitrypanosomal agents and their structure activity relationships on central linkage groups and different substitution patterns in the sulfur-linked series. The compounds showed in vitro growth inhibition IC(50) values as low as 0.02 mu g/mL and in vivo efficacy in acute murine infection models against nryapnosoma brucei.