tris(1-methyl-1-(2-oxo-2-((2R,3R,4R,5R)-3,4,5-trihydroxy-2-(hydroxy-methyl)piperidin-1-yl)ethyl)guanidine) 2-hydroxypropane-1,2,3-tricarboxylate | 1198175-99-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: tris(1-methyl-1-(2-oxo-2-((2R,3R,4R,5R)-3,4,5-trihydroxy-2-(hydroxy-methyl)piperidin-1-yl)ethyl)guanidine) 2-hydroxypropane-1,2,3-tricarboxylate
• 英文别名: 2-hydroxypropane-1,2,3-tricarboxylic acid;1-methyl-1-[2-oxo-2-[(2R,3R,4R,5R)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethyl]guanidine
• CAS: 1198175-99-3
• 化学式: C₆H₈O₇*C₁₀H₂₀N₄O₅
• 分子量: 468.418
• InChiKey: CQQCIISUXYVYII-RNZQWECKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.15
• 重原子数：
  32
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  287
• 氢给体数：
  10
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  1-methyl-1-(2-oxo-2-((2R,3R,4R,5R)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl)ethyl)guanidine 、 柠檬酸 以 异丙醇 为溶剂， 生成 tris(1-methyl-1-(2-oxo-2-((2R,3R,4R,5R)-3,4,5-trihydroxy-2-(hydroxy-methyl)piperidin-1-yl)ethyl)guanidine) 2-hydroxypropane-1,2,3-tricarboxylate
  参考文献：
  名称：

  Salts of creatine imino sugar amides

  摘要：

  本发明涉及肌酸亚胺糖酰胺的稳定盐和一种无机或有机酸，具有增强的营养和/或治疗功效，相对于它们各自的效应，并且包含这些盐的固体组合物，特别适用于口服和静脉注射。还提供了这些组合物的制备和使用方法。

  公开号：

  US20090298877A1

文献信息

• US8546369B2
  申请人：——

  公开号：US8546369B2

  公开（公告）日：2013-10-01
• [EN] CREATINE SUGAR AMIDES AND SALTS THEREOF<br/>[FR] AMIDES DE CRÉATINE ET DE SUCRES ET SELS DE CEUX-CI
  申请人：NORTHERN INNOVATIONS AND FORMU

  公开号：WO2009143630A1

  公开（公告）日：2009-12-03

  Compounds produced by combining imino sugars and creatine and salts thereof are herein disclosed. The compounds being in the form of creatine imino sugar amides and the salts being combinations of various creatine imino sugar amides with an inorganic or organic acid. The resulting creatine imino sugar amides have enhanced stability in solution as compared to related esters and the resulting salts are particularly well suited for oral and parenteral use. In addition, specific benefits are conferred by the imino sugar in addition to, and separate from, the creatine substituent. Methods of preparation and use of these compounds are also disclosed.