5-{[{1-[(6-{4-[(4-acetyl-1-piperazinyl)carbonyl]phenoxy}-2-methyl-3-pyridinyl)methyl]-4-piperidinyl}(2-butyn-1-yl)carbamoyl]amino}-2,4-difluorobenzamide | 949885-38-5

• 分子结构分类: 有机化合物
• 英文名称: 5-{[{1-[(6-{4-[(4-acetyl-1-piperazinyl)carbonyl]phenoxy}-2-methyl-3-pyridinyl)methyl]-4-piperidinyl}(2-butyn-1-yl)carbamoyl]amino}-2,4-difluorobenzamide
• 英文别名: 5-[[[1-[[6-[4-(4-Acetylpiperazine-1-carbonyl)phenoxy]-2-methylpyridin-3-yl]methyl]piperidin-4-yl]-but-2-ynylcarbamoyl]amino]-2,4-difluorobenzamide
• CAS: 949885-38-5
• 化学式: C₃₇H₄₁F₂N₇O₅
• 分子量: 701.773
• InChiKey: HHLXARNAJPHFCH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  51
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  141
• 氢给体数：
  2
• 氢受体数：
  9

文献信息

• NITROGENATED HETEROCYCLIC DERIVATIVE , AND PHARMACEUTICAL AGENT COMPRISING THE DERIVATIVE AS ACTIVE INGREDIENT
  申请人：Kusuda Shinya

  公开号：US20090131403A1

  公开（公告）日：2009-05-21

  The compound represented by formula (I), a salt thereof, an N-oxide thereof, a solvate thereof, or a prodrug thereof specifically binds CCR5, so it is useful for preventing and/or treating CCR5-related diseases, for example, various inflammatory diseases (asthma, nephritis, nephropathy, hepatitis, arthritis, rheumatoid arthritis, rhinitis, conjunctivitis, ulcerative colitis, etc.), immunological diseases (autoimmune diseases, rejection in organ transplantation, immunosuppression, psoriasis, multiple sclerosis, etc.), infectious diseases (infection with human immunodeficiency virus, acquired immunodeficiency syndrome, etc.), allergic diseases (atopic dermatitis, urticaria, allergic bronchopulmonary aspergillosis, allergic eosinophilic gastroenteritis, etc.), ischemic reperfusion injury, acute respiratory distress syndrome, shock accompanying bacterial infection diabetes cancer metastasis and so on. Wherein all symbols in formula are as defined in the specification

  公式（I）所代表的化合物，其盐，其N-氧化物，其溶剂合物或其前药，具有特异性地结合CCR5，因此对于预防和/或治疗CCR5相关疾病非常有用，例如各种炎症性疾病（哮喘，肾炎，肾病，肝炎，关节炎，类风湿性关节炎，鼻炎，结膜炎，溃疡性结肠炎等），免疫性疾病（自身免疫性疾病，器官移植排斥反应，免疫抑制，银屑病，多发性硬化症等），传染性疾病（感染人类免疫缺陷病毒，获得性免疫缺陷综合症等），过敏性疾病（特应性皮炎，荨麻疹，过敏性支气管肺曲霉病，过敏性嗜酸性胃肠炎等），缺血再灌注损伤，急性呼吸窘迫综合症，细菌感染引起的休克，糖尿病，癌症转移等。其中，公式中的所有符号均如规范中所定义。
• EP1995246A1
  申请人：——

  公开号：EP1995246A1

  公开（公告）日：2008-11-26
• US8003642B2
  申请人：——

  公开号：US8003642B2

  公开（公告）日：2011-08-23
• [EN] METHODS AND COMPOSITIONS FOR TREATING CYTOKINE STORM INFECTIONS, INCLUDING COVID-19, BY INHIBITING CCR5/CCL5 INTERACTION<br/>[FR] MÉTHODES ET COMPOSITIONS POUR LE TRAITEMENT D'INFECTIONS DE TYPE CHOC CYTOKINIQUE, NOTAMMENT LA COVD-19, PAR INHIBITION DE L'INTERACTION CCR5/CCL5
  申请人：INCELLDX INC

  公开号：WO2021222069A1

  公开（公告）日：2021-11-04

  Methods of treating a subject suffering from COVID-19 are provided. Aspects of the methods including administering to the subject an effective amount of an inhibitor of CCR5/CCL5 interaction, such as a CCR5 antagonist. Also provided are methods of assessing severity of a disease involving hypercytokinemia, such as COVID-19, by determining the level of CCL5/RANTES in a subject, as well as compositions for use in such methods.