4-amino-5-(hydroxymethyl)-2-methylpyrimidine pyrophosphate | 841-01-0

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机含氧阴离子化合物
• 英文名称: 4-amino-5-(hydroxymethyl)-2-methylpyrimidine pyrophosphate
• 英文别名: 4-amino-5-hydroxymethyl-2-methylpyrimidinyl pyrophosphate；4-amino-2-methyl-5-hydroxymethylpyrimidine pyrophosphate；diphosphoric acid 4-amino-2-methyl-pyrimidin-5-ylmethyl ester；(4-Amino-2-methylpyrimidin-5-yl)methyl trihydrogen diphosphate；(4-amino-2-methylpyrimidin-5-yl)methyl phosphono hydrogen phosphate
• CAS: 841-01-0
• 化学式: C₆H₁₁N₃O₇P₂
• 分子量: 299.117
• InChiKey: AGQJQCFEPUVXNK-UHFFFAOYSA-N

物化性质

• 熔点：
  > 207°C (dec.)
• 沸点：
  599.2±60.0 °C(Predicted)
• 密度：
  1.820±0.06 g/cm3(Predicted)
• 溶解度：
  可微溶于水

计算性质

• 辛醇/水分配系数(LogP)：
  -2.8
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  165
• 氢给体数：
  4
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  2-Carboxy-4-methyl-5-[(2-phosphonooxy)ethylidene]-2,5-dihydrothiazole 、 4-amino-5-(hydroxymethyl)-2-methylpyrimidine pyrophosphate 在 thiamine phosphate synthase 作用下， 生成
  参考文献：
  名称：

  Hazra, Amrita; Chatterjee, Abhishek; Begley, Tadhg P., Journal of the American Chemical Society, 2009, vol. 131, p. 3225 - 3229

  摘要：

  DOI：
• 作为产物：
  描述：

  4-氨基-5-羟基甲基-2-甲基嘧啶 在 magnesium chloride Tris buffer 、 三(2-羰基乙基)磷盐酸盐 、 5’-三磷酸腺苷 作用下， 生成 4-amino-5-(hydroxymethyl)-2-methylpyrimidine pyrophosphate
  参考文献：
  名称：

  硫胺磷酸合酶：嘧啶碳正离子形成速率

  摘要：

  硫胺磷酸合酶偶联 4-氨基-5-(羟甲基)-2-甲基嘧啶焦磷酸 (HMP-PP) 和 4-甲基-5-(β-羟乙基)噻唑磷酸盐 (Thz-P)，通过生物合成途径制备磷酸硫胺硫胺素-PP，维生素B1的活性形式。我们通过使用瞬态动力学方法表明该偶联反应通过嘧啶碳正离子中间体，并且酶活性位点碳正离子形成的速率常数为 0.4 s-1。

  DOI：

  10.1021/ja0679634

文献信息

• Methods for indentifying compounds that modulate an enzyme in the coenzyme a biosynthetic pathway in a pathogenic microoganism
  申请人：Schechter M. Alan

  公开号：US20060094075A1

  公开（公告）日：2006-05-04

  A method for the identification and treatment of pathogenic microorganism infections by inhibiting one or more enzymes in a metabolic pathway by inhibiting the conversion of substrate to produce the penultimate or ultimate product particularly by inhibiting the activity of one or more of the enzymes in the pathway, and compounds and pharmaceutical compositions for inhibiting infections of pathogenic microorganisms by inhibiting such enzymes.

  一种通过抑制代谢途径中一个或多个酶的活性，抑制底物转化为产生次终产物或终产物的过程，特别是通过抑制途径中一个或多个酶的活性，来识别和治疗病原微生物感染的方法，以及用于抑制这些酶而抑制病原微生物感染的化合物和药物组合物。
• Method for the identification and treatment of pathogenic microorganism infections by inhibiting one or more enzymes in an essential metabolic pathway
  申请人：Pyro Pharmaceuticals, Inc.

  公开号：US20030180830A1

  公开（公告）日：2003-09-25

  A method for the identification and treatment of pathogenic microorganism infections by inhibiting one or more enzymes in a metabolic pathway by inhibiting the conversion of substrate to produce the penultimate or ultimate product particularly by inhibiting the activity of one or more of the enzymes in the pathway

  一种通过抑制代谢途径中一个或多个酶的活性，从而抑制底物转化产生次终产物或最终产物，特别是通过抑制代谢途径中一个或多个酶的活性来识别和治疗病原微生物感染的方法。
• Method for the identification and treatment of pathogenic microorganism infections by inhibiting one or more enzymes in an essential metabolic pathway and compounds and pharmaceutical compositions useful therefor
  申请人：Pyro Pharmaceuticals, Inc.

  公开号：US20040006040A1

  公开（公告）日：2004-01-08

  A method for the identification and treatment of pathogenic microorganism infections by inhibiting one or more enzymes in a metabolic pathway by inhibiting the conversion of substrate to produce the penultimate or ultimate product particularly by inhibiting the activity of one or more of the enzymes in the pathway, and compounds and pharmaceutical compositions for inhibiting infections of pathogenic microorganisms by inhibiting such enzymes.

  一种通过抑制代谢途径中的一个或多个酶，抑制底物转化为产生次终产物或终产物的方法，特别是通过抑制途径中一个或多个酶的活性，用于鉴定和治疗病原微生物感染，以及用于抑制这些酶的化合物和制药组合物，用于抑制病原微生物感染。
• Methods for indentifying compounds that modulate an enzyme involved in reductive carboxylation in a pathogenic microorganism
  申请人：Schechter M. Alan

  公开号：US20060178321A1

  公开（公告）日：2006-08-10

  A method for the identification and treatment of pathogenic microorganism infections by inhibiting one or more enzymes in a metabolic pathway by inhibiting the conversion of substrate to produce the penultimate or ultimate product particularly by inhibiting the activity of one or more of the enzymes in the pathway, and compounds and pharmaceutical compositions for inhibiting infections of pathogenic microorganisms by inhibiting such enzymes.

  一种通过抑制代谢途径中的一个或多个酶来抑制底物转化为产生次终产物或终产物的方法，特别是通过抑制途径中一个或多个酶的活性，用于鉴定和治疗病原微生物感染，以及用于抑制这些酶的化合物和制药组合物以抑制病原微生物感染的方法。
• Methods for indentifying compounds that modulate an enzyme involved in riboflavin metabolism in a pathogenic microorganism
  申请人：Schechter M. Alan

  公开号：US20060178322A1

  公开（公告）日：2006-08-10

  A method for the identification and treatment of pathogenic microorganism infections by inhibiting one or more enzymes in a metabolic pathway by inhibiting the conversion of substrate to produce the penultimate or ultimate product particularly by inhibiting the activity of one or more of the enzymes in the pathway, and compounds and pharmaceutical compositions for inhibiting infections of pathogenic microorganisms by inhibiting such enzymes.

  一种通过抑制代谢途径中的一个或多个酶，抑制底物转化为产生次终产物或终产物的方法，特别是通过抑制途径中一个或多个酶的活性，以识别和治疗致病微生物感染，以及用于抑制这些酶而抑制致病微生物感染的化合物和制药组合物。