6-chloro-N-{[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl}-2-[(3R)-3-hydroxypyrrolidin-1-yl]quinoline-5-carboxamide | 1061221-90-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 6-chloro-N-{[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl}-2-[(3R)-3-hydroxypyrrolidin-1-yl]quinoline-5-carboxamide
• 英文别名: 6-chloro-N-[[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]quinoline-5-carboxamide
• CAS: 1061221-90-6
• 化学式: C₂₂H₂₈ClN₃O₃
• 分子量: 417.936
• InChiKey: GTFTZKPCYSYNOU-KIMHZCHSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  85.7
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2,6-dichloro-N-(((1S,3S )-1-hydroxy-3-methylcyclohexyl)methyl)quinoline-5-carboxamide 、 (R)-3-吡咯烷醇 在 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 反应 0.5h， 生成 6-chloro-N-{[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl}-2-[(3R)-3-hydroxypyrrolidin-1-yl]quinoline-5-carboxamide
  参考文献：
  名称：

  Novel Compounds 679

  摘要：

  该发明提供了式（I）的化合物，其制备方法，含有它们的药物组合物，制备药物组合物的方法，以及它们在治疗中的应用，其中R1、R2、R3和n如规范中定义。

  公开号：

  US20080234319A1
• 作为试剂：
  描述：

  (R)-3-吡咯烷醇 、 (S)-3-吡咯烷醇 、 2,6-dichloro-N-(((1S,3S )-1-hydroxy-3-methylcyclohexyl)methyl)quinoline-5-carboxamide 、 N,N-二异丙基乙胺 在 6-chloro-N-{[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl}-2-[(3R)-3-hydroxypyrrolidin-1-yl]quinoline-5-carboxamide 作用下， 以 乙腈 为溶剂， 以to afford the title compound as a cream solid (190 mg)的产率得到6-chloro-N-{[(1S,3S)-1-hydroxy-3-methylcyclohexyl]methyl}-2-[(3R)-3-hydroxypyrrolidin-1-yl]quinoline-5-carboxamide
  参考文献：
  名称：

  Compounds 679

  摘要：

  本发明提供了式(I)化合物，其制备过程，包含它们的制药组合物，制备制药组合物的过程以及它们在治疗中的应用，其中R1、R2、R3和n的定义如规范所述。

  公开号：

  US07964616B2

文献信息

• NOVEL QUINOLINE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES
  申请人：Merck Patent GmbH

  公开号：US20150353497A1

  公开（公告）日：2015-12-10

  The present invention relates to quinoline compounds, and pharmaceutically acceptable compositions thereof, useful as antagonists of P2X7, and for the treatment of P2X7-related disorders.

  本发明涉及喹啉化合物及其药学上可接受的组成物，作为P2X7拮抗剂，用于治疗与P2X7相关的疾病。
• Methods of modulating immune activity
  申请人：Flagship Pioneering Innovations V, Inc.

  公开号：US11376272B2

  公开（公告）日：2022-07-05

  In one aspect, the invention provides methods of increasing immune response by administering postcellular signaling factors produced by cells exposed to a stress condition. In one aspect, the invention provides methods of increasing immune response by administering in combination (a) a Stimulator of Interferon Genes (STING) agonist and (b) a purinergic receptor agonist. The increase in immune response may be used, for example, for treatment of infection or cancer. The invention also provides screening assays for identification of compounds that induce production of postcellular signaling factors which are also immunostimulatory agents. The invention further provides methods for identifying postcellular signaling factors with immunostimulatory activity. In another aspect, the invention provides methods of decreasing immune response by administering to a cell, tissue or subject a purinergic receptor antagonist alone or in combination with a Stimulator of Interferon Genes (STING) antagonist.

  一方面，本发明提供了通过施用暴露于应激条件下的细胞产生的细胞后信号因子来提高免疫应答的方法。在一个方面，本发明提供了通过联合施用(a)干扰素基因刺激剂（STING）激动剂和(b)嘌呤能受体激动剂来增加免疫反应的方法。免疫反应的增强可用于治疗感染或癌症等。本发明还提供了筛选测定法，用于鉴定能诱导产生细胞后信号因子的化合物，这些细胞后信号因子也是免疫刺激剂。本发明进一步提供了鉴定具有免疫刺激活性的细胞后信号因子的方法。在另一方面，本发明提供了通过向细胞、组织或受试者单独施用嘌呤能受体拮抗剂或与干扰素基因刺激剂（STING）拮抗剂联合施用来降低免疫反应的方法。
• QUINOLINE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES
  申请人：AstraZeneca AB

  公开号：EP2139879B1

  公开（公告）日：2012-07-11
• METHODS OF MODULATING IMMUNE ACTIVITY
  申请人：Flagship Pioneering Innovations V, Inc.

  公开号：US20210299155A1

  公开（公告）日：2021-09-30

  In one aspect, the invention provides methods of increasing immune response by administering posteellular signaling factors produced by cells exposed to a stress condition. In one aspect, the invention provides methods of increasing immune response by administering in combination (a) a Stimulator of Interferon Genes (STING) agonist and (b) a purinergic receptor agonist. The increase in immune response may be used, for example, for treatment of infection or cancer. The invention also provides screening assays for identification of compounds that induce production of postcellular signaling factors which are also immunostimulatory agents. The invention further provides methods for identifying postcellular signaling factors with immunostimulatory activity. In another aspect, the invention provides methods of decreasing immune response by administering to a cell, tissue or subject a purinergic receptor antagonist alone or in combination with a Stimulator of Interferon Genes (STING) antagonist.
• US7964616B2
  申请人：——

  公开号：US7964616B2

  公开（公告）日：2011-06-21