4-chloro-N-(2-fluorobenzyl)-N-[3-fluoro-4-(2H-tetrazol-5-yl)benzyl]benzenesulfonamide | 1191066-96-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-chloro-N-(2-fluorobenzyl)-N-[3-fluoro-4-(2H-tetrazol-5-yl)benzyl]benzenesulfonamide
• 英文别名: 4-chloro-N-(3-fluoro-4-(1H-tetrazol-5-yl)benzyl)-N-(2-fluorobenzyl)benzenesulfonamide；4-chloro-N-[(2-fluorophenyl)methyl]-N-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide
• CAS: 1191066-96-2
• 化学式: C₂₁H₁₆ClF₂N₅O₂S
• 分子量: 475.906
• InChiKey: CFOGJDJXLGLSCI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  100
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  在 叠氮基三甲基硅烷 、 二正丁基氧化锡 作用下， 以 甲苯 为溶剂， 生成 4-chloro-N-(2-fluorobenzyl)-N-[3-fluoro-4-(2H-tetrazol-5-yl)benzyl]benzenesulfonamide
  参考文献：
  名称：

  Discovery of a novel series of CXCR3 antagonists

  摘要：

  The discovery of a novel series of CXCR3 antagonists is described. Starting from an HTS positive, iterative optimization gave potent compounds (IC(50) 15 nM in a chemotaxis assay). The strategy employed to improve the metabolic stability of these derivatives is described. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.113

文献信息

• Sulfonamides
  申请人：Crosignani Stefano

  公开号：US20110028509A1

  公开（公告）日：2011-02-03

  The invention relates to compounds of formula I wherein R 1 , R 2 , R 4 , R a , R b , R c , R e , A*, W 1 , W 2 and W 3 are as defined in claim 16 , for the treatment of CXCR3 related diseases.

  该发明涉及式I的化合物，其中R1、R2、R4、Ra、Rb、Rc、Re、A*、W1、W2和W3的定义如权利要求16所述，用于治疗与CXCR3相关的疾病。
• Compounds and Methods for Modifying iAge
  申请人：Edifice Health, Inc,

  公开号：US20210315921A1

  公开（公告）日：2021-10-14

  The compounds and methods described herein can improve iAge (Inflammatory Age) of patients with a specific immunotype. For example, a patients iAge can be moved into a responders cohort from a non-responders cohort for an immunotherapy. The compounds and methods described herein can also improve cardiovascular patient outcomes using cAge to stratify CVD patients into risk cohorts for therapy and monitoring. Higher risk CVD patients can be converted to lower risk patients by treating the patients with molecules that reduce their cAge.
• [EN] SULFONAMIDES<br/>[FR] SULFONAMIDES
  申请人：MERCK SERONO SA

  公开号：WO2009124962A2

  公开（公告）日：2009-10-15

  The invention relates to compounds of formula (I) wherein R1, R2, R4, Ra, Rb, Rc, Re, A*, W1, W2 and W3 are as defined in claim 1, for the treatment of CXCR3 related diseases.