2-(2-氨基-5,6-二氢-4H-嘧啶-1-基)乙酸 | 35404-56-9

• 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: 2-(2-氨基-5,6-二氢-4H-嘧啶-1-基)乙酸
• 英文名称: (2-iminotetrahydro-pyrimidin-1(2H)-yl)acetic acid
• 英文别名: 1-Carboxy-methyl-2-imino-hexahydro-pyrimidin；(2-amino-5,6-dihydro-4H-pyrimidin-1-yl)-acetic acid；1-carboxymethyl-2-iminohexahydropyrimidine；2-(2-amino-5,6-dihydro-4H-pyrimidin-1-yl)acetic acid
• CAS: 35404-56-9
• 化学式: C₆H₁₁N₃O₂
• 分子量: 157.172
• InChiKey: KDSBXFCETWZSBM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  78.9
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  氰胺 、 N-(3-氨基丙基)甘氨酸双盐酸盐 以 水 为溶剂， 反应 2.0h， 生成 2-(2-氨基-5,6-二氢-4H-嘧啶-1-基)乙酸
  参考文献：
  名称：

  [EN] SYNTHESIS OF CYCLOCREATINE AND ANALOGS THEREOF
  [FR] SYNTHÈSE DE CYCLOCRÉATINE ET DE SES ANALOGUES

  摘要：

  本文提供一种使用氰胺反应中间体的方法和中间体，用于制备式(I)的化合物，或其药学上可接受的盐。

  公开号：

  WO2016145286A1

文献信息

• [EN] INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF<br/>[FR] INHIBITEURS DE TRANSPORT DE CRÉATINE ET LEURS UTILISATIONS
  申请人：RGENIX INC

  公开号：WO2016176636A1

  公开（公告）日：2016-11-03

  This invention relates to compounds that inhibit creatine transport and/or creatine kinase, pharmaceutical compositions including such compounds, and methods of utilizing such compounds and compositions for the treatment of cancer.

  这项发明涉及抑制肌酸转运和/或肌酸激酶的化合物，包括这些化合物的药物组合物，以及利用这些化合物和组合物治疗癌症的方法。
• [EN] INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF<br/>[FR] INHIBITEURS DE TRANSPORT DE LA CRÉATINE ET LEURS UTILISATIONS
  申请人：RGENIX INC

  公开号：WO2015168465A1

  公开（公告）日：2015-11-05

  This invention relates to compounds that inhibit creatine transport and/or creatine kinase, pharmaceutical compositions including such compounds, and methods of utilizing such compounds and compositions for the treatment of cancer.

  这项发明涉及抑制肌酸转运和/或肌酸激酶的化合物，包括这种化合物的药物组合物，以及利用这种化合物和组合物治疗癌症的方法。
• Synthesis of cyclocreatine and analogs thereof
  申请人：Lumos Pharma, Inc.

  公开号：US10081605B2

  公开（公告）日：2018-09-25

  Provided herein is a process and intermediates for the preparation of a compound of formula (I): or a pharmaceutically acceptable salt thereof, using cyanamide in the reaction.

  本文提供了一种使用氰胺反应制备式(I)化合物或其药学上可接受的盐的过程和中间体。
• Use of creatine or creatine analogs for the tratment of diseases of the nervous system
  申请人：Avicena Group, Inc.

  公开号：EP1719510A1

  公开（公告）日：2006-11-08

  The present invention relates to the use of creatine compounds including creatine, creatine phosphate or analogs of creatine, such as cyclocreatine, for treating diseases of the nervous system. Creatine compounds can be used as therapeutically effective agents against a variety of diseases of the nervous system such as diabetic and toxic neuropathies, peripheral nervous system diseases, Alzheimer disease, Parkinson's disease, stroke, Huntington's disease, motor neuron disease, traumatic nerve injury, multiple sclerosis, dysmyelination and demyelination disorders, and mitochondrial diseases. The Creatine compounds which can be used in the present method include: (1) creatine, creatine phosphate and analogs of these compounds which can act as substrates or substrate analogs for creatine kinase; (2) bisubstrate inhibitors of creatine kinase comprising covalently linked structural analogs of adenosine triphosphate (ATP) and creatine; (3) creatine analogs which can act as reversible or irreversible inhibitors of creatine kinase, and (4) N-phosphorocreatine analogs bearing non-transferable moieties which mimic the N-phosphoryl group.

  本发明涉及肌酸化合物（包括肌酸、磷酸肌酸或肌酸类似物，如环肌酸）用于治疗神经系统疾病的用途。肌酸化合物可用作治疗各种神经系统疾病的有效药物，如糖尿病和中毒性神经病、周围神经系统疾病、阿尔茨海默病、帕金森病、中风、亨廷顿氏病、运动神经元疾病、创伤性神经损伤、多发性硬化症、髓鞘脱落和脱髓鞘疾病以及线粒体疾病。可用于本方法的肌酸化合物包括(1) 可作为肌酸激酶底物或底物类似物的肌酸、磷酸肌酸和这些化合物的类似物；(2) 肌酸激酶的双底物抑制剂，包括共价连接的三磷酸腺苷（ATP）和肌酸的结构类似物；(3) 可作为肌酸激酶可逆或不可逆抑制剂的肌酸类似物；以及 (4) 含有模拟 N-磷酸基的不可转移分子的 N-磷酸肌酸类似物。
• Use of creatine or creatine analogs for the treatment of diseases of the nervous system
  申请人：Avicena Group, Inc.

  公开号：EP2327404A1

  公开（公告）日：2011-06-01

  The present invention relates to the use of creatine compounds including creatine, creatine phosphate or analogs of creatine, such as cyclocreatine, for treating diseases of the nervous system. Creatine compounds can be used as therapeutically effective agents against a variety of diseases of the nervous system such as diabetic and toxic neuropathies, peripheral nervous system diseases, Alzheimer disease, Parkinson's disease, stroke, Huntington's disease, motor neuron disease, traumatic nerve injury, multiple sclerosis, dysmyelination and demyelination disorders, and mitochondrial diseases. The Creatine compounds which can be used in the present method include: (1) creatine, creatine phosphate and analogs of these compounds which can act as substrates or substrate analogs for creatine kinase; (2) bisubstrate inhibitors of creatine kinase comprising covalently linked structural analogs of adenosine triphosphate (ATP) and creatine; (3) creatine analogs which can act as reversible or irreversible inhibitors of creatine kinase, and (4) N-phosphorocreatine analogs bearing non-transferable moieties which mimic the N-phosphoryl group.

  本发明涉及肌酸化合物（包括肌酸、磷酸肌酸或肌酸类似物，如环肌酸）用于治疗神经系统疾病的用途。肌酸化合物可用作治疗各种神经系统疾病的有效药物，如糖尿病和中毒性神经病、周围神经系统疾病、阿尔茨海默病、帕金森病、中风、亨廷顿氏病、运动神经元疾病、创伤性神经损伤、多发性硬化症、髓鞘脱落和脱髓鞘疾病以及线粒体疾病。可用于本方法的肌酸化合物包括(1) 可作为肌酸激酶底物或底物类似物的肌酸、磷酸肌酸和这些化合物的类似物；(2) 肌酸激酶的双底物抑制剂，包括共价连接的三磷酸腺苷（ATP）和肌酸的结构类似物；(3) 可作为肌酸激酶可逆或不可逆抑制剂的肌酸类似物；以及 (4) 含有模拟 N-磷酸基的不可转移分子的 N-磷酸肌酸类似物。