N-甲脒基-N-甲基甘氨酸-2-氧代丙酸(1:1) | 208535-04-0

• 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
• 中文名称: N-甲脒基-N-甲基甘氨酸-2-氧代丙酸(1:1)
• 英文名称: Creatine pyruvate
• 英文别名: 2-[carbamimidoyl(methyl)amino]acetic acid;2-oxopropanoic acid
• CAS: 208535-04-0
• 化学式: C7H13N3O5
• 分子量: 219.2
• InChiKey: DLNGCCQFGNSBOP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.44
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  145
• 氢给体数：
  4
• 氢受体数：
  6

文献信息

• AMIDES OF CREATNE, METHOD OF THEIR PREPARATION, AND REMEDY POSSESSING A NEUROPROTECTIVE ACTIVITY
  申请人：Burov Sergej Vladimirovich

  公开号：US20110269986A1

  公开（公告）日：2011-11-03

  The invention relates to pharmaceutical chemistry notably to new biologically active substances (BAS) and their properties. In particular, the invention relates to Creatine derivatives having a general formula: NH═C(NH 2 )—N(CH 3 )—CH 2 —CO—NH—R*X, wherein R—amino acid residue of aliphatic, aromatic or heteroaromatic L-amino acid or its derivative representing a salts of amino acid, amino acid esters, amino acid amides or peptides; X—lower organic or mineral acid or water. New substances are prepared by interaction of aforesaid amides of sarcosine having a general formula of HN(CH 3 )—CH 2 —CO—NH—R*X, wherein: R is amino acid residue or substituted amino acid residue; X is low-molecular-weight organic acid or mineral acid or water, with a guanidinylating agents with the in organic solvents at temperature not exceeding 50° C. New chemical compounds can be used as a remedy possessing a neuroprotective activity.

  该发明涉及制药化学，特别是新的生物活性物质（BAS）及其性质。具体而言，该发明涉及具有一般式的肌酸衍生物：NH═C(NH 2 )—N(CH 3 )—CH 2 —CO—NH—R*X，其中R为脂肪族、芳香族或杂环芳基L-氨基酸或其衍生物的氨基酸残基，代表氨基酸盐、氨基酸酯、氨基酸酰胺或肽；X为低级有机酸或矿物酸或水。新物质通过上述具有一般式的肌氨酸酰胺的相互作用制备而成，其中：R为氨基酸残基或取代氨基酸残基；X为低分子量有机酸或矿物酸或水，与有机溶剂中的胍基化剂在不超过50°C的温度下反应。新的化合物可用作具有神经保护活性的药物。
• [EN] PHENYLCREATINE, ITS USE AND METHOD FOR ITS PRODUCTION<br/>[FR] PHÉNYLCRÉATINE, SON UTILISATION ET SON PROCÉDÉ DE FABRICATION
  申请人：DUKHOVLINOV ILYA VLADIMIROVICH

  公开号：WO2018135977A1

  公开（公告）日：2018-07-26

  The invention relates to the field of pharmaceutical chemistry, namely to new biologically active substances and their use and to a method of production. In particular, the invention relates to a derivative of creatine - phenylcreatine, its use as a functional analogue of creatine, as well as a nootropic agent and for the prevention or treatment of arrhythmia and a method of its production.

  该发明涉及制药化学领域，特别是新的生物活性物质及其用途以及生产方法。具体来说，该发明涉及肌酸的衍生物 - 苯基肌酸，其作为肌酸的功能类似物的用途，以及作为一种脑功能增强剂和用于心律失常的预防或治疗的用途，以及其生产方法。
• PROCESS FOR PREPARING CREATINE AMIDES
  申请人：Burov Sergej Vladimirovich

  公开号：US20120277459A1

  公开（公告）日：2012-11-01

  The invention relates to the field of pharmaceutical chemistry, specifically to processes for preparing biologically active substances (BAS), in particular creatine amides. What is proposed is a process for preparing creatine amides which comprises treating creatine with para-toluenesulfonic acid in an organic solvent with subsequent reaction of the resultant complex with compounds comprising a primary or secondary amino group in the presence of a condensing agent and a base which are introduced subsequently. The claimed process makes it possible to increase the yield of the end product by 2-5 times in comparison with analogs and also to extend the range of the compounds prepared.

  该发明涉及制药化学领域，具体涉及制备生物活性物质（BAS），特别是肌酸酰胺的过程。提出了一种制备肌酸酰胺的方法，包括将肌酸与对甲苯磺酸在有机溶剂中处理，然后将产生的复合物与含有一次或二次氨基团的化合物在缩合剂和碱的存在下进行反应，这些缩合剂和碱是随后引入的。所述方法可以使最终产品的产量比类似物增加2-5倍，并且还可以扩展所制备化合物的范围。
• Process for preparing a creatine heterocyclic acid salt and method of use.
  申请人：——

  公开号：US20040198823A1

  公开（公告）日：2004-10-07

  This invention relates to a process for the synthesis and method of use of an effective amount of a creatine heterocyclic acid salt for the regulation athletic function in humans.

  这项发明涉及一种用于合成和使用一种有效量的肌酸杂环酸盐的方法，用于调节人类的运动功能。
• METHOD OF PREPARING CREATINE ESTER SALTS AND USES THEREOF.
  申请人：Ferguson Chris

  公开号：US20080103202A1

  公开（公告）日：2008-05-01

  This invention discloses the method of preparation of creatine ester-salts. Creatine is an extremely popular ergogenic aid, and is found most often in the form of creatine monohydrate. Creatine monohydrate is poorly soluble in water however and while esters gain solubility, there functionality is greatly decreased. The material can be administered in a variety of ways including capsules, tablets, powdered beverages, bars, gels, liquids, liposomes or drinks.

  这项发明披露了肌酸酯盐的制备方法。肌酸是一种极受欢迎的增强运动表现的辅助剂，通常以肌酸单水合物的形式出现。然而，肌酸单水合物在水中溶解性较差，而酯类虽然增加了溶解性，但其功能性大大降低。该材料可以通过胶囊、片剂、粉末饮料、能量棒、凝胶、液体、脂质体或饮料等多种方式进行给药。