3-(3-chloro-benzoylamino)-N-[2-(2,4-dichloro-phenyl)-ethyl]-4-[4-(3-dimethylamino-propionyl)-piperazin-1-yl]-benzamide | 1181767-33-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-(3-chloro-benzoylamino)-N-[2-(2,4-dichloro-phenyl)-ethyl]-4-[4-(3-dimethylamino-propionyl)-piperazin-1-yl]-benzamide
• 英文别名: 3-[(3-chlorobenzoyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]-4-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]benzamide
• CAS: 1181767-33-8
• 化学式: C₃₁H₃₄Cl₃N₅O₃
• 分子量: 631.002
• InChiKey: UNMYDMGJCLVXRL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  42
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  85
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-噻吩甲酸 、 3-(3-chloro-benzoylamino)-N-[2-(2,4-dichloro-phenyl)-ethyl]-4-[4-(3-dimethylamino-propionyl)-piperazin-1-yl]-benzamide 在 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 3-[(3-chlorobenzoyl)amino]-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-(2-phenylcyclopropyl)benzamide
  参考文献：
  名称：

  [EN] INHIBITORS OF THE CHEMOKINE RECEPTOR CXCR3
  [FR] INHIBITEURS DU RÉCEPTEUR DE CHIMIOKINE CXCR3

  摘要：

  本发明涉及一种如下所定义的3-(酰胺或磺胺基)-4-(取代的4-吡啶基)苯甲酰胺或苯磺酰胺化合物。所述的3-(酰胺或磺胺基)-(取代的4-吡啶基)苯甲酰胺或苯磺酰胺化合物可用作趋化因子受体CxCR3的抑制剂，并用于预防或治疗患有CxCR3趋化因子受体介导的疾病或相关病况的患者。

  公开号：

  WO2009105435A1
• 作为产物：
  描述：

  3-[(3-chlorobenzoyl)amino]-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-(2-phenylcyclopropyl)benzamide 在 水 、 三氟乙酸 作用下， 反应 4.0h， 生成 3-(3-chloro-benzoylamino)-N-[2-(2,4-dichloro-phenyl)-ethyl]-4-[4-(3-dimethylamino-propionyl)-piperazin-1-yl]-benzamide
  参考文献：
  名称：

  [EN] INHIBITORS OF THE CHEMOKINE RECEPTOR CXCR3
  [FR] INHIBITEURS DU RÉCEPTEUR DE CHIMIOKINE CXCR3

  摘要：

  本发明涉及一种如下所定义的3-(酰胺或磺胺基)-4-(取代的4-吡啶基)苯甲酰胺或苯磺酰胺化合物。所述的3-(酰胺或磺胺基)-(取代的4-吡啶基)苯甲酰胺或苯磺酰胺化合物可用作趋化因子受体CxCR3的抑制剂，并用于预防或治疗患有CxCR3趋化因子受体介导的疾病或相关病况的患者。

  公开号：

  WO2009105435A1

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。
• INHIBITORS OF THE CHEMOKINE RECEPTOR CXCR3
  申请人：SANOFI

  公开号：EP2262784B1

  公开（公告）日：2014-04-16
• INHIBITORS OF THE CHEMOKINE RECEPTOR CxCR3
  申请人：Thorpe David S.

  公开号：US20100305088A1

  公开（公告）日：2010-12-02

  This invention is directed to a 3-(amido or sulphamido)-4-(4-substituted-azinyl)benzamide or benzsulphonamide compound as defined herein. The 3-(amido or sulphamido)-(4-substituted-azinyl)benzamide or benzsulphonamide compound is useful as a inhibitor of the chemokine receptor CxCR 3 , and for preventing or treating a CxCR 3 chemokine receptor mediated disease or condition related thereto in a patient in need of such.
• 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.
• 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.