(2-morpholino-ethyl)-guanidine | 69602-62-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: (2-morpholino-ethyl)-guanidine
• 英文别名: (2-Morpholino-aethyl)-guanidin；2-(2-morpholin-4-ylethyl)guanidine
• CAS: 69602-62-6
• 化学式: C₇H₁₆N₄O
• mdl: MFCD05022506
• 分子量: 172.23
• InChiKey: QMQGMWROFMJIBB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.7
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.857
• 拓扑面积：
  76.9
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (2-morpholino-ethyl)-guanidine 、 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-(2-morpholin-4-ylethyl)pyrimidine-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
• 作为产物：
  描述：

  N-(2-氨基乙基)吗啉 、 alkaline earth salt of/the/ methylsulfuric acid 在 水 作用下， 生成 (2-morpholino-ethyl)-guanidine
  参考文献：
  名称：

  Buck; Baltzly; Ferry, Journal of the American Chemical Society, 1942, vol. 64, p. 2231

  摘要：

  DOI：

文献信息

• [EN] GUANIDINE COMPOUNDS AND USE THEREOF<br/>[FR] COMPOSÉS DE GUANIDINE ET LEUR UTILISATION
  申请人：HANALL BIOPHARMA CO LTD

  公开号：WO2015160220A1

  公开（公告）日：2015-10-22

  The present invention relates to guanidine compounds for inhibiting mitochondrial oxidative phosphorylation (OXPHOS) and use thereof. More specifically, the present invention relates to a pharmaceutical composition for preventing or treating a OXPHOS-related disease, particularly cancer by inhibiting mitochondrial oxidative phosphorylation and reprogramming cellular metabolism.

  本发明涉及用于抑制线粒体氧化磷酸化（OXPHOS）的胍啉化合物及其使用。更具体地，本发明涉及一种用于预防或治疗与OXPHOS相关的疾病，特别是通过抑制线粒体氧化磷酸化和重编程细胞代谢的药物组合物。
• Crystal structure of liganded cFMS kinase domain
  申请人：Shewchuk Marie Lisa

  公开号：US20070010540A1

  公开（公告）日：2007-01-11

  A crystal structure of the cfms kinase domain, co-crystal structure with a bound small molecule, as well as methods of using the same in the discovery of cfms inhibitors and in the treatment of diseases mediated by inappropriate cfms activity.

  cfms激酶结构的晶体结构，与一个结合的小分子的共晶结构，以及使用相同方法在发现cfms抑制剂和治疗由不当cfms活性介导的疾病中的应用。
• Über die Orientierung bei der Kondensation von Benzil mit monosubstituierten Guanidinen
  作者：K. Lempert、Magda Lempert-Sréter

  DOI：10.1007/bf02157681

  日期：1959.11
• GUANIDINE COMPOUNDS AND USE THEREOF
  申请人：IMMUNOMET THERAPEUTICS INC.

  公开号：US20170073331A1

  公开（公告）日：2017-03-16

  The present invention relates to guanidine compounds for inhibiting mitochondrial oxidative phosphorylation (OXPHOS) and use thereof. More specifically, the present invention relates to a pharmaceutical composition for preventing or treating a OXPHOS-related disease, particularly cancer, by inhibiting mitochondrial oxidative phosphorylation and reprogramming cellular metabolism.
• US7491731B2
  申请人：——

  公开号：US7491731B2

  公开（公告）日：2009-02-17