4-cyano-N-(3-fluoro-4-(1H-tetrazol-5-yl)benzyl)-N-(2-fluorobenzyl)benzenesulfonamide | 1191066-94-0

• 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-cyano-N-(3-fluoro-4-(1H-tetrazol-5-yl)benzyl)-N-(2-fluorobenzyl)benzenesulfonamide
• 英文别名: EMD 1205395；AS612568；4-cyano-N-[(2-fluorophenyl)methyl]-N-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide
• CAS: 1191066-94-0
• 化学式: C₂₂H₁₆F₂N₆O₂S
• 分子量: 466.471
• InChiKey: AZUDKTWLENPMEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  124
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  N-(2-fluorobenzyl)-N-[3-fluoro-4-(2H-tetrazol-5-yl)benzyl]amine 、 三乙胺 、 4-氰基苯磺酰氯 在 ice 、 二氯甲烷 、 碳酸氢钠 、 Brine 、 Sodium sulfate-III 、 dichloromethane hexane 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成 4-cyano-N-(3-fluoro-4-(1H-tetrazol-5-yl)benzyl)-N-(2-fluorobenzyl)benzenesulfonamide
  参考文献：
  名称：

  Sulfonamides

  摘要：

  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。

  公开号：

  US20110028509A1

文献信息

• Treatment and prevention of cardiovascular disease
  申请人：Edifice Health, Inc.

  公开号：US11359011B2

  公开（公告）日：2022-06-14

  The methods and compositions described herein improve cardiovascular outcomes using measures related to systemic chronic inflammation (the inflammatory age—iAge, the cardiovascular age—cAge, and levels of certain markers) to stratify patients into low risk and high risk groups. The personalized immune proteome signature creates an individualized initial therapy to reduce cAge and to convert high risk patients into low risk patients. High risk patients can be converted to low risk patients by treating the patients to reduce their cAge, iAge and/or improve their CRS.

  本文所述的方法和组合物利用与全身慢性炎症有关的指标（炎症年龄-iAge、心血管年龄-cAge 和某些标志物的水平）将患者分为低风险组和高风险组，从而改善心血管预后。个性化的免疫蛋白质组特征可创建个性化的初始疗法，以降低年龄，并将高风险患者转化为低风险患者。通过治疗降低患者的 cAge、iAge 和/或改善其 CRS，可将高风险患者转化为低风险患者。
• Treatment and Prevention of Cardiovascular Disease
  申请人：Edifice Health, Inc.

  公开号：US20210040195A1

  公开（公告）日：2021-02-11

  The methods and compositions described herein improve cardiovascular outcomes using measures related to systemic chronic inflammation (the inflammatory age—iAge, the cardiovascular age—cAge, and levels of certain markers) to stratify patients into low risk and high risk groups. The personalized immune proteome signature creates an individualized initial therapy to reduce cAge and to convert high risk patients into low risk patients. High risk patients can be converted to low risk patients by treating the patients to reduce their cAge, iAge and/or improve their CRS.
• [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.