(3-Chloro-4-phenylsulfanylphenyl)methanol | 1260497-64-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: (3-Chloro-4-phenylsulfanylphenyl)methanol
• 英文别名: (3-chloro-4-phenylsulfanylphenyl)methanol
• CAS: 1260497-64-0
• 化学式: C₁₃H₁₁ClOS
• 分子量: 250.749
• InChiKey: SQMDEXZFNRIDAG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  45.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (3-Chloro-4-phenylsulfanylphenyl)methanol 在 咪唑 、 碘 、 三苯基膦 作用下， 以20%的产率得到(2-chloro-4-(iodomethyl)phenyl)(phenyl)sulfane
  参考文献：
  名称：

  The synthesis and SAR of novel diarylsulfone 11β-HSD1 inhibitors

  摘要：

  In this communication, human 11 beta-hydroxysteroid dehydrogenase type 1 (11 beta-HSD1) inhibitory activities of a novel series of diarylsulfones are described. Optimization of this series resulted in several highly potent 11b-HSD1 inhibitors with excellent pharmacokinetic (PK) properties. Compound (S)-25 showed excellent efficacy in a non-human primate ex vivo pharmacodynamic model. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.09.097
• 作为产物：
  描述：

  3-chloro-4-(phenylthio)benzaldehyde 在 sodium tetrahydroborate 作用下， 以95%的产率得到(3-Chloro-4-phenylsulfanylphenyl)methanol
  参考文献：
  名称：

  The synthesis and SAR of novel diarylsulfone 11β-HSD1 inhibitors

  摘要：

  In this communication, human 11 beta-hydroxysteroid dehydrogenase type 1 (11 beta-HSD1) inhibitory activities of a novel series of diarylsulfones are described. Optimization of this series resulted in several highly potent 11b-HSD1 inhibitors with excellent pharmacokinetic (PK) properties. Compound (S)-25 showed excellent efficacy in a non-human primate ex vivo pharmacodynamic model. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.09.097

文献信息

• The synthesis and SAR of novel diarylsulfone 11β-HSD1 inhibitors
  作者：Xuelei Yan、Zhulun Wang、Athena Sudom、Mario Cardozo、Michael DeGraffenreid、Yongmei Di、Pingchen Fan、Xiao He、Juan C. Jaen、Marc Labelle、Jinsong Liu、Ji Ma、Dustin McMinn、Shichang Miao、Daqing Sun、Liang Tang、Hua Tu、Stefania Ursu、Nigel Walker、Qiuping Ye、Jay P. Powers

  DOI：10.1016/j.bmcl.2010.09.097

  日期：2010.12

  In this communication, human 11 beta-hydroxysteroid dehydrogenase type 1 (11 beta-HSD1) inhibitory activities of a novel series of diarylsulfones are described. Optimization of this series resulted in several highly potent 11b-HSD1 inhibitors with excellent pharmacokinetic (PK) properties. Compound (S)-25 showed excellent efficacy in a non-human primate ex vivo pharmacodynamic model. (C) 2010 Elsevier Ltd. All rights reserved.