5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)-2-N-methylpyrimidine-2,4-diamine | 1347863-86-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)-2-N-methylpyrimidine-2,4-diamine
• CAS: 1347863-86-8
• 化学式: C₁₅H₁₉IN₄O₂
• 分子量: 414.246
• InChiKey: LLVATEXBEPXINI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  82.3
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  甲胍 、 2-(5-iodo-2-isopropyl-4-methoxy-phenoxy)-3-phenylamino-acrylonitrile 在 sodium methylate 作用下， 以 乙醇 为溶剂， 生成 5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)-2-N-methylpyrimidine-2,4-diamine
  参考文献：
  名称：

  Identification and SAR of novel diaminopyrimidines. Part 2: The discovery of RO-51, a potent and selective, dual P2X3/P2X2/3 antagonist for the treatment of pain

  摘要：

  The purinoceptor subtypes P2X(3) and P2X(2/3) have been shown to play a pivotal role in models of various pain conditions. Identification of a potent and selective dual P2X(3)/P2X(2/3) diaminopyrimidine antagonist RO-4 prompted subsequent optimization of the template. This paper describes the SAR and optimization of the diaminopyrimidine ring and particularly the substitution of the 2-amino group. The discovery of the highly potent and drug-like dual P2X(3)/P2X(2/3) antagonist RO-51 is presented. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.01.097

文献信息

• Methods and compositions for treating diseases and conditions
  申请人：Afferent Pharmaceuticals, Inc.

  公开号：US10543211B2

  公开（公告）日：2020-01-28

  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病症的方法和组合物。在某些实施方案中，提供了用于治疗一种或多种疾病或病症的方法，这些疾病或病症选自由高血压、心力衰竭、呼吸困难和睡眠呼吸暂停组成的组。在某些实施方案中，所提供的方法包括施用本文所公开的式(I)化合物。在某些实施方案中，所提供的方法包括施用P2X3和/或P2X2/3受体拮抗剂。
• METHODS AND COMPOSITIONS FOR TREATING DISEASES AND CONDITIONS
  申请人：Afferent Pharmaceuticals, Inc.

  公开号：US20190175593A1

  公开（公告）日：2019-06-13

  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.
• DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS
  申请人：Roche Palo Alto LLC

  公开号：US20210009531A1

  公开（公告）日：2021-01-14

  Compounds and methods for treating diseases mediated by a P2X 3 and/or a P2X 2/3 receptor antagonist, the methods comprising administering to a subject in need thereof an effective amount of a compound of formula (I): or a pharmaceutically acceptable salt, solvate or prodrug thereof, wherein X is O, D, Y, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 and R 8 are as defined herein.
• Identification and SAR of novel diaminopyrimidines. Part 2: The discovery of RO-51, a potent and selective, dual P2X3/P2X2/3 antagonist for the treatment of pain
  作者：Alam Jahangir、Muzaffar Alam、David S. Carter、Michael P. Dillon、Daisy Joe Du Bois、Anthony P.D.W. Ford、Joel R. Gever、Clara Lin、Paul J. Wagner、Yansheng Zhai、Jeff Zira

  DOI：10.1016/j.bmcl.2009.01.097

  日期：2009.3

  The purinoceptor subtypes P2X(3) and P2X(2/3) have been shown to play a pivotal role in models of various pain conditions. Identification of a potent and selective dual P2X(3)/P2X(2/3) diaminopyrimidine antagonist RO-4 prompted subsequent optimization of the template. This paper describes the SAR and optimization of the diaminopyrimidine ring and particularly the substitution of the 2-amino group. The discovery of the highly potent and drug-like dual P2X(3)/P2X(2/3) antagonist RO-51 is presented. (C) 2009 Elsevier Ltd. All rights reserved.