(α⁴,3-O-isopropylidene-3-hydroxy-4-hydroxymethyl-2-methyl-5-pyridyl)-3-azabutylphosphonic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (α⁴,3-O-isopropylidene-3-hydroxy-4-hydroxymethyl-2-methyl-5-pyridyl)-3-azabutylphosphonic acid
• 英文别名: 2-[(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methylamino]ethylphosphonic acid
• 化学式: C₁₃H₂₁N₂O₅P
• 分子量: 316.294
• InChiKey: ZPCJKTJBLHMJAT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.4
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  101
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (α⁴,3-O-isopropylidene-3-hydroxy-4-hydroxymethyl-2-methyl-5-pyridyl)-3-azabutylphosphonic acid 在 水 、 溶剂黄146 作用下， 反应 5.0h， 以39%的产率得到(3-hydroxy-4-hydroxymethyl-2-methyl-5-pyridyl)-3-azabutylphosphonic acid
  参考文献：
  名称：

  WO2006/58411

  摘要：

  公开号：
• 作为产物：
  描述：

  di-t-butyl (α⁴,3-O-isopropylidene-3-hydroxy-4-hydroxymethyl-2-methyl-5-pyridyl)-3-azabutylphosphonate 在 三甲基溴硅烷 作用下， 以 乙腈 为溶剂， 以91%的产率得到(α⁴,3-O-isopropylidene-3-hydroxy-4-hydroxymethyl-2-methyl-5-pyridyl)-3-azabutylphosphonic acid
  参考文献：
  名称：

  WO2006/58411

  摘要：

  公开号：

文献信息

• Modulation of cell death
  申请人：Friesen David Albert

  公开号：US20070032456A1

  公开（公告）日：2007-02-08

  A method of modulating cell death includes administering pyridoxal-5′phosphate, pyridoxal, pyridoxine, pyridoxamine, 3-acylated analogues of pyridoxal, 3-acylated analogues of pyridoxal-4,5-aminal, pyridoxine phosphonate analogues, or pharmaceutical compositions thereof.
• Compositions for treating angina
  申请人：REIMER James Dawson

  公开号：US20070167411A1

  公开（公告）日：2007-07-19

  A method of treating angina in a mammal includes administering pyridoxal-5′-phosphate, pyridoxal, pyridoxine, pyridoxamine, 3-acylated analogues of pyridoxal, 3-acylated analogues of pyridoxal-4,5-aminal, pyridoxine phosphonate analogues, or pharmaceutical compositions thereof.
• Pyridoxal-5-Phosphate and Related Compounds in Combination With Therapeutic Cardiovascular Compounds for Treating Angina
  申请人：Friesen Albert

  公开号：US20080311099A1

  公开（公告）日：2008-12-18

  Methods for treating angina are described. A method for treating angina includes concurrently administering a compound with a therapeutic cardiovascular compound. A combination therapy employs suitable therapeutic cardiovascular compounds, such as a calcium channel blocker, a β-adrenergic blocker, nitrates, partial fatty acid oxidation inhibitors, potassium channel activators, or a mixture thereof, in combination with a compound such as pyridoxal-5′phosphate, pyridoxic acid, pyridoxal, pyridoxamine, 3-acylated analogues of pyridoxal, 3-acylated analogues of pyridoxal-4,5-aminal, pyridoxine phosphonate analogues, a pharmaceutically acceptable acid addition salt thereof, or a mixture thereof. The invention also includes a novel composition comprising at least one compound and nitrates, partial fatty acid oxidation inhibitors, potassium channel activators, calcium channel blockers, β-adrenergic blockers, or a mixture thereof.
• US7442689B2
  申请人：——

  公开号：US7442689B2

  公开（公告）日：2008-10-28
• WO2006/58411
  申请人：——

  公开号：——

  公开（公告）日：——