N-(2-甲氧基乙基)胍 | 108712-07-8

• 物质功能分类: 化学试剂 - 有机试剂 - 胍盐
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: N-(2-甲氧基乙基)胍
• 英文名称: N-(2-methoxyethyl)guanidine
• 英文别名: (2-methoxy-ethyl)-guanidine；(2-Methoxy-aethyl)-guanidin；1-(2-Methoxyethyl)guanidine；2-(2-methoxyethyl)guanidine
• CAS: 108712-07-8
• 化学式: C₄H₁₁N₃O
• mdl: MFCD11505279
• 分子量: 117.151
• InChiKey: XNPSFFSMEXSPKL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  73.6
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2925290090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302

反应信息

• 作为反应物：
  描述：

  皮考林乙酸乙酯 、 N-(2-甲氧基乙基)胍 在 potassium carbonate 作用下， 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Discovery of 2-Pyridylpyrimidines as the First Orally Bioavailable GPR39 Agonists

  摘要：

  The identification of highly potent and orally bioavailable GPR39 agonists is reported. Compound 1, found in a phenotypic screening campaign, was transformed into compound 2 with good activity on both the rat and human GPR39 receptor. This compound was further optimized to improve ligand efficiency and pharmacokinetic properties to yield GPR39 agonists for the potential oral treatment of type 2 diabetes. Thus, compound 3 is the first potent GPR39 agonist (EC(50)s <= 1 nM for human and rat receptor) that is orally bioavailable in mice and robustly induced acute GLP-1 levels.

  DOI：

  10.1021/ml500240d
• 作为产物：
  描述：

  2-甲氧基乙胺 、 alkaline earth salt of/the/ methylsulfuric acid 生成 N-(2-甲氧基乙基)胍
  参考文献：
  名称：

  Notes - The Acid Cleavage of 1-(3-Alkoxypropyl)-3-guanidines and Nitroguanidines

  摘要：

  DOI：

  10.1021/jo01109a601

文献信息

• Method for the introduction of aminopyrimidinyl substituents into the side chain of ring A in (13α)-estrones
  作者：A. A. Sukhanova、M. A. Prezent、A. N. Fakhrutdinov、I. V. Zavarzin

  DOI：10.1007/s11172-024-4268-9

  日期：2024.5

  A method based on the use of difluoroboron complexes was developed for the introduction of aminopyrimidinyl substituents into the side chain of ring A in (13α)-estrones.

  开发了一种基于使用二氟硼配合物的方法，用于将氨基嘧啶基取代基引入到 (13α)-雌酮中的 A 环侧链中。
• 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.
• Bream; Lauener; Picard, Arzneimittel-Forschung/Drug Research, 1975, vol. 25, # 10, p. 1477 - 1482
  作者：Bream、Lauener、Picard、Scholtysik、White

  DOI：——

  日期：——
• Douglas; Diamond; Studt, Arzneimittel-Forschung/Drug Research, 1978, vol. 28, # 8 A, p. 1435 - 1441
  作者：Douglas、Diamond、Studt、Mir、Alioto、Auyang、Burns、Cias、Darkes、Dodson、O'Connor、Santora、Tsuei、Zalipsky、Zimmerman

  DOI：——

  日期：——
• WO2023/218195
  申请人：——

  公开号：——

  公开（公告）日：——