5-(5-ethynyl-2-isopropyl-4-methoxy-phenoxy)-pyrimidine-2,4-diamine

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-(5-ethynyl-2-isopropyl-4-methoxy-phenoxy)-pyrimidine-2,4-diamine
• 英文别名: 5-(5-ethynyl-2-isopropyl-4-methoxy-phenoxy)-pyrimidin-2,4-diamine；5-(5-ethynyl-4-methoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
• 化学式: C₁₆H₁₈N₄O₂
• 分子量: 298.345
• InChiKey: VIEFFPUQDBQGEW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  96.3
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  5-(2-isopropyl-4-methoxy-5-trimethylsilanylethynyl-phenoxy)-pyrimidine-2,4-diamine 在 cesium fluoride 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 生成 5-(5-ethynyl-2-isopropyl-4-methoxy-phenoxy)-pyrimidine-2,4-diamine
  参考文献：
  名称：

  Diaminopyrimidines as P2X3 and P2X2/3 modulators

  摘要：

  通过给予需要的受试者有效量的化合物(I)的方法来治疗由P2X3和/或P2X2/3受体拮抗剂介导的疾病，其中化合物的结构如下所示：其中D、X、R1、R2、R3、R4、R5、R6、R7和R8如本文所定义。

  公开号：

  US20070049758A1

文献信息

• [EN] METHODS AND COMPOSITIONS FOR TREATING DISEASES AND CONDITIONS<br/>[FR] MÉTHODES ET COMPOSITIONS POUR LE TRAITEMENT DE MALADIES ET D'AFFECTIONS
  申请人：AFFERENT PHARMACEUTICALS INC

  公开号：WO2016004358A1

  公开（公告）日：2016-01-07

  Provided herein include methods and compositions for treating diseases or conditions. In some embodiments provided are methods for treating one or more diseases or conditions selected from the group consisting of hypertension, heart failure, dyspnea, and sleep apnea. In certain embodiments provided are methods that include administering a compound of formula (I) as disclosed herein. In some embodiments provided are methods that include administering a P2X3 and/or a P2X2/3 receptor antagonist.

  本文提供了用于治疗疾病或症状的方法和组合物。在某些实施例中，提供了治疗高血压、心力衰竭、呼吸困难和睡眠呼吸暂停等一种或多种疾病或症状的方法。在特定实施例中，提供了包括根据本文披露的化合物（I）的方法。在某些实施例中，提供了包括给予P2X3和/或P2X2/3受体拮抗剂的方法。
• Identification and SAR of novel diaminopyrimidines. Part 1: The discovery of RO-4, a dual P2X3/P2X2/3 antagonist for the treatment of pain
  作者：David S. Carter、Muzaffar Alam、Haiying Cai、Michael P. Dillon、Anthony P.D.W. Ford、Joel R. Gever、Alam Jahangir、Clara Lin、Amy G. Moore、Paul J. Wagner、Yansheng Zhai

  DOI：10.1016/j.bmcl.2009.02.003

  日期：2009.3

  P2X purinoceptors are ligand-gated ion channels whose endogenous ligand is ATP. Both the P2X(3) and P2X(2/3) receptor subtypes have been shown to play an important role in the regulation of sensory function and dual P2X(3)/P2X(2/3) antagonists offer significant potential for the treatment of pain. A high-throughput screen of the Roche compound collection resulted in the identification of a novel series of diaminopyrimidines; subsequent optimization resulted in the discovery of RO-4, a potent, selective and drug-like dual P2X(3)/P2X(2/3) antagonist. (C) 2009 Elsevier Ltd. All rights reserved.
• DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 MODULATORS
  申请人：F.HOFFMANN-LA ROCHE AG

  公开号：EP1924564A1

  公开（公告）日：2008-05-28
• 3",5"-DIALKOXYBENZOYL-3'-AMINO-3'-DEOXYADENOSINE-5'-TRIPHOSPHATES AND PHARMACEUTICAL USES THEREOF
  申请人：Danmir Therapeutics, LLC

  公开号：EP3765072A1

  公开（公告）日：2021-01-20
• 3'',5''-DIMETHOXYBENZOYL-3'-AMINO-3'-DEOXYADENOSINE-5'-TRIPHOSPHATES AND PHARMACEUTICAL USES THEREOF
  申请人：Danmir Therapeutics, LLC

  公开号：US20210054015A1

  公开（公告）日：2021-02-25

  Provided are compounds compound according to Formula (I), or a pharmaceutically acceptable salt, solvate, coordination complex or prodrug thereof: wherein, R 1 and R 2 are independently selected from (C 1 -C 6 ) alkyl. The compounds have P2X3 receptor or P2X2/3 receptor antagonist activity and are useful for the treatment of diseases and disorders characterized by activation of those receptors.