2-(4-chlorophenyl)-N-[1-({(cyanoimino)[(2-methyl-3-pyridinyl)amino]methyl}amino)-2,2-dimethylpropyl]acetamide | 861392-99-6

• 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: 2-(4-chlorophenyl)-N-[1-({(cyanoimino)[(2-methyl-3-pyridinyl)amino]methyl}amino)-2,2-dimethylpropyl]acetamide
• 英文别名: Benzeneacetamide, 4-chloro-N-[1-[[(cyanoamino)[(2-methyl-3-pyridinyl)imino]methyl]amino]-2,2-dimethylpropyl]-；2-(4-chlorophenyl)-N-[1-[[(cyanoamino)-[(2-methylpyridin-3-yl)amino]methylidene]amino]-2,2-dimethylpropyl]acetamide
• CAS: 861392-99-6
• 化学式: C₂₁H₂₅ClN₆O
• 分子量: 412.922
• InChiKey: QTDONOXURZFSIG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  102
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N-[1-(1H-1,2,3-benzotriazol-1-yl)-2,2-dimethylpropyl]-2-(4-chlorophenyl)acetamide 、 N''-cyano-N-(2-methyl-3-pyridinyl)guanidine 在 caesium carbonate 作用下， 以 乙腈 为溶剂， 反应 10.0h， 生成 2-(4-chlorophenyl)-N-[1-({(cyanoimino)[(2-methyl-3-pyridinyl)amino]methyl}amino)-2,2-dimethylpropyl]acetamide
  参考文献：
  名称：

  Discovery and Biological Evaluation of Novel Cyanoguanidine P2X₇ Antagonists with Analgesic Activity in a Rat Model of Neuropathic Pain

  摘要：

  We disclose the design of a novel series of cyanoguanidines that are potent (IC50 similar or equal to 10-100 nM) and selective (>= 100-fold) P2X(7) receptor antagonists against the other P2 receptor subtypes such as the P2Y(2), P2X(4), and P2X(3). We also found that these P2X(7) antagonists effectively reduced nociception in a rat model of neuropathic pain (Chung model). Particularly, analogue 53 proved to be effective in the Chung model, with an ED50 of 38 mu mol/kg after intraperitoneal administration. In addition compound 53 exhibited antiallodynic effects following oral administration and maintained its efficacy following repeated administration in the Chung model. These results suggest an important role of P2X(7) receptors in neuropathic pain and therefore a potential use of P2X(7) antagonists as novel therapeutic tools for the treatment of this type of pain.

  DOI：

  10.1021/jm8015848

文献信息

• P2X7 antagonists for treating neuropathic pain
  申请人：Carroll A. William

  公开号：US20050171195A1

  公开（公告）日：2005-08-04

  The present invention discloses a method for treating neuropathic pain using compounds of formula I or compositions containing compounds of formula I.

  本发明公开了一种利用式I化合物或含有式I化合物的组合物治疗神经病性疼痛的方法。
• P2X7 receptor antagonists for restoring T-cell lymphopoiesis in subjects infected with human immunodeficiency virus (HIV)
  申请人：INSERM (INSTITUT NATIONAL DE LA SANTÉ ET DE LA RECHERCHE MÉDICALE)

  公开号：US10548980B2

  公开（公告）日：2020-02-04

  The present invention relates to pharmaceutical composition and uses thereof for restoring T-cell lymphopoiesis in subjects infected with human immunodeficiency virus (HIV). In particular, the present invention relates to a P2X7 receptor antagonist for use in a method of restoring T-cell lymphopoiesis in a subject infected with human immunodeficiency virus (HIV) comprising administering to the subject a therapeutically effective amount of said P2X7 receptor antagonist.

  本发明涉及用于恢复感染人类免疫缺陷病毒（HIV）的受试者的T细胞淋巴细胞生成的药物组合物及其用途。特别是，本发明涉及一种P2X7受体拮抗剂，用于在感染了人类免疫缺陷病毒（HIV）的受试者中恢复T细胞淋巴细胞生成的方法，该方法包括向受试者施用治疗有效量的所述P2X7受体拮抗剂。
• P2X7 RECEPTOR ANTAGONISTS FOR RESTORING T-CELL LYMPHOPOIESIS IN SUBJECTS INFECTED WITH HUMAN IMMUNODEFICIENCY VIRUS (HIV)
  申请人：INSERM (INSTITUT NATIONAL DE LA SANTÉ ET LA SANTÉ ET DE LA RECHERCHE MÉDICALE)

  公开号：US20190022223A1

  公开（公告）日：2019-01-24

  The present invention relates to pharmaceutical composition and uses thereof for restoring T-cell lymphopoiesis in subjects infected with human immunodeficiency virus (HIV). In particular, the present invention relates to a P2X7 receptor antagonist for use in a method of restoring T-cell lymphopoiesis in a subject infected with human immunodeficiency virus (HIV) comprising administering to the subject a therapeutically effective amount of said P2X7 receptor antagonist.