4-(2,3-Dichlorophenyl)sulfanyl-3-methoxyaniline

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 4-(2,3-Dichlorophenyl)sulfanyl-3-methoxyaniline
• 化学式: C₁₃H₁₁Cl₂NOS
• 分子量: 300.2
• InChiKey: JALNDKZULMCUMA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  18
• 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：
  60.6
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• INHIBITORS OF LFA-1 BINDING TO ICAMs AND USES THEREOF
  申请人：ICOS CORPORATION

  公开号：EP1165504A2

  公开（公告）日：2002-01-02
• [EN] INHIBITORS OF LFA-1 BINDING TO ICAMs AND USES THEREOF<br/>[FR] INHIBITEURS DE LA LIAISON DE LFA-1 A DES ICAMS ICAMS ET LIEURS UTILISATIONS
  申请人：ICOS CORP

  公开号：WO2000059878A2

  公开（公告）日：2000-10-12

  The present invention is directed to compounds that bind to a novel regulatory site in the I domain of LFA-1, and thereby inhibit LFA-1 binding to ICAMs that bind LFA-1. The present invention therefore also provides methods to regulate leukocyte adhesion to endothelial cells. Compounds of the ivnention are useful for the treatment of pathologies, such as those associated inflammatory diseases, autoimmune diseases, tumor metastasis, allograft rejection and reperfusion injury. In particular, the present invention is directed to diaryl sulfides of general structural formula (I), a pharmaceutically acceptable salt, or prodrug thereof, and to the use of diaryl sulfides, and particularly compounds of formula (I), to inhibit LFA-1 binding to an ICAM that binds LFA-1 wherein A and B, independently, are aryl groups selected from the group consisting of 5- and 6-membered aromatic rings, including, but not limited to, phenyl, thienyl, furyl, pyrimidinyl, imidazolyl, pyrazolyl, pyridyl, pyrazinyl, pyrrolyl, and pyridazinyl.