3-hydroxy-3-methyl-butanyl pyrophosphate | 102186-02-7

• 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: 3-hydroxy-3-methyl-butanyl pyrophosphate
• 英文别名: diphosphoric acid mono-(3-hydroxy-3-methyl-butyl) ester；3-Hydroxy-3-methyl-butyl-(1)-pyrophosphat；(3-Hydroxy-3-methylbutyl) phosphono hydrogen phosphate
• CAS: 102186-02-7
• 化学式: C₅H₁₄O₈P₂
• 分子量: 264.109
• InChiKey: RZFCFDAITMFIMJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.4
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  134
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  3-羟基-3-甲基对甲苯磺酸丁酯 在 tris(tetra-n-butylammonium) hydrogen pyrophosphate 作用下， 以50%的产率得到3-hydroxy-3-methyl-butanyl pyrophosphate
  参考文献：
  名称：

  Mutation and inhibition studies of mevalonate 5-diphosphate decarboxylase

  摘要：

  Mevalonate 5-diphosphate decarboxylase plays an important role in regulating cholesterol biosynthesis, which was studied through incubation with various synthetic substrate analogs and characterization of mutated enzymes. The results are potentially useful for further developing inhibitors that block the mevalonate pathway which is a drug target for treating cardiovascular disease and cancer. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.09.033

文献信息

• Machleidt,H. et al., Justus Liebigs Annalen der Chemie, 1964, vol. 672, p. 215 - 222
  作者：Machleidt,H. et al.

  DOI：——

  日期：——
• Mutation and inhibition studies of mevalonate 5-diphosphate decarboxylase
  作者：Yongge Qiu、Jinbo Gao、Fei Guo、Yuqin Qiao、Ding Li

  DOI：10.1016/j.bmcl.2007.09.033

  日期：2007.11

  Mevalonate 5-diphosphate decarboxylase plays an important role in regulating cholesterol biosynthesis, which was studied through incubation with various synthetic substrate analogs and characterization of mutated enzymes. The results are potentially useful for further developing inhibitors that block the mevalonate pathway which is a drug target for treating cardiovascular disease and cancer. (C) 2007 Elsevier Ltd. All rights reserved.