(1-Hydroxy-1-phosphono-2-pyridin-1-ium-1-yl-ethyl)phosphonic acid | 873225-93-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物
• 英文名称: (1-Hydroxy-1-phosphono-2-pyridin-1-ium-1-yl-ethyl)phosphonic acid
• 英文别名: (1-hydroxy-1-phosphono-2-pyridin-1-ium-1-ylethyl)phosphonic acid
• CAS: 873225-93-5
• 化学式: C₇H₁₂NO₇P₂
• 分子量: 284.122
• InChiKey: FQJFDJIGUURRGW-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  -3.3
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  139
• 氢给体数：
  5
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1-carboxymethyl-pyridinium 在 甲烷磺酸 、 亚磷酸 、 三氯氧磷 、 盐酸 作用下， 以 水 为溶剂， 生成 (1-Hydroxy-1-phosphono-2-pyridin-1-ium-1-yl-ethyl)phosphonic acid
  参考文献：
  名称：

  亚甲基双膦酸酯作为HIV RT磷酸分解活性的抑制剂。

  摘要：

  进行了36种亚甲基双膦酸酯（BPs）作为天然和耐药形式的HIV-1逆转录酶（RT）的磷酸水解抑制剂的结构功能分析。结果表明，随着BPs对磷酸分解活性的抑制潜能的增加，其抑制RT催化的DNA延伸的能力也随之增强。在本文中，我们报道了胸苷类似物突变（TAM）对双膦酸盐的活性以及BPs的某些结构特征的影响，从而使它们能够维持对核苷类似物治疗具有抗性的酶的抑制活性。我们估计了Mg（2 +）-配位基团结构，连接基和芳香族药效团对BPs抑制潜能的影响。根据31个BP SAR，

  DOI：

  10.1016/j.biochi.2016.05.012

文献信息

• BISPHOSPHONATE COMPOUNDS AND METHODS FOR BONE RESORPTION DISEASES, CANCER, BONE PAIN, IMMUNE DISORDERS, AND INFECTIOUS DISEASES
  申请人：THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS

  公开号：EP1802641B1

  公开（公告）日：2011-08-10
• Bisphosphonate Compounds and Methods with Enhanced Potency for Multiple Targets including FPPS, GGPPS, AND DPPS
  申请人：OLDFIELD Eric

  公开号：US20080255070A1

  公开（公告）日：2008-10-16

  The disclosure provides, inter alia, novel bisphosphonate compounds and methods of making and using such compounds. In certain embodiments, compounds of the invention include bisphosphonates that are capable of selectively inhibiting one or more of farnesyl diphosphate synthase (FPPS), geranylgeranyl diphosphate synthase (GGPPS), and decaprenyl pyrophosphate synthase (DPPS). In preferred embodiments, compounds of the invention are capable of selectively inhibiting two or more of FPPS, GGPPS, and DPPS. In embodiments, compounds and methods of the invention demonstrate superior activity levels, such as in the anti-cancer context, immunostimulation context, and other contexts, which in several cases exceed the activity levels of previous generation bisphosphonate drugs by orders of magnitude. In embodiments, the invention provides compounds and methods in connection with research and therapeutic applications, e.g., for tumor or cancer cell growth inhibition, activation of gammadelta T cells, inhibition of certain enzymes related to the mevalonate metabolic pathway, bone resorption diseases, cancer, immune disorders, immunotherapy, and infectious diseases.
• Bisphosphonate Compounds and Methods for Bone Resorption Diseases, Cancer, Bone Pain, Immune Disorders, and Infectious Diseases
  申请人：Sanders John M.

  公开号：US20100316676A1

  公开（公告）日：2010-12-16

  Bisphosphonate compounds and related methods of making and using are disclosed, including pyridinium-1-yl, quinolinium-1-yl, and related compounds. The activity of compounds is disclosed in the context of functional assays such as Leishmania major farnesyl diphosphate synthase (FPPS) inhibition, Dictyostelium discoideum growth inhibition, human gamma delta T cell activation, and bone resorption. The applicability of bisphosphonate compounds in the context of parasitic infections, for example against trypanosomes, is disclosed. Further potential applications of the invention are disclosed regarding the treatment of one or more conditions such as bone resorption disorders, cancer, bone pain, infectious diseases, and in immunotherapy.
• US7358361B2
  申请人：——

  公开号：US7358361B2

  公开（公告）日：2008-04-15
• US7745422B2
  申请人：——

  公开号：US7745422B2

  公开（公告）日：2010-06-29