5-(phosphonomethyl)isophthalic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-(phosphonomethyl)isophthalic acid
• 英文别名: 5-phosphonomethyl isophthalic acid；5-phosphonomethyl-1,3-benzenedicarboxylic acid；5-(phosphonomethyl)benzene-1,3-dicarboxylic acid
• 化学式: C₉H₉O₇P
• 分子量: 260.14
• InChiKey: ATEDZEYFTCGZFE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  132
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4,4'-联吡啶 、 5-(phosphonomethyl)isophthalic acid 、 zinc(II) nitrate hexahydrate 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 以33%的产率得到
  参考文献：
  名称：

  Syntheses, crystal structures, and luminescent properties of three zinc carboxyphosphonates with 2D layered and 3D pillared-layer structures

  摘要：

  Three zinc(II) carboxyphosphonates [Zn-3(5-pmipe)(2)]center dot 0.5H(2)O (1.0.5H(2)O), [Zn-3(5-pmipm)(2)]center dot H2O (2 center dot H2O), and [Zn-3(5-pmipH)(2)(bpy)(0.5)]center dot 6H(2)O (3.6H(2)O) (5-pmipH4 = 5-(phosphonomethyl) isophthalic acid, 5-pmipeH(3) = [C6H3(CO2H)(CO2Et)(CH2PO3H2)], 5-pmipmH(3) = [C6H3(CO2H)(CO2Me)(CH2PO3H2)], bpy = 4,4'-bipyridine) were synthesized under hydrothermal conditions. Compounds 1 and 2 are isostructural. In compounds 1 and 2, the {ZnO4} and {CPO3} tetrahedra are interconnected into a zigzag infinite chain via corner-sharing. In addition, these chains are further linked by carboxyphosphonate ligands into a 2D layer. Interestingly, one carboxylate group experiences an in situ esterification reaction with ethanol and methanol, respectively. Compound 3 displays a 3D pillared-bilayer open framework structure. The {ZnO4}, {ZnO3N} and {CPO3} tetrahedra are interlinked through corner-sharing into one chain, which are joined together by 5-pmipH(3) into a bilayer. The layers are pillared up by bpy into 3D network. The luminescent properties of compounds 1-3 were investigated in solid state at room temperature. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2015.02.017
• 作为产物：
  描述：

  5-甲基间苯二酸 在 盐酸 、 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 、 硫酸 作用下， 以 四氯化碳 、 乙酸乙酯 、 甲苯 为溶剂， 生成 5-(phosphonomethyl)isophthalic acid
  参考文献：
  名称：

  Manganese cluster-based MOF as efficient polysulfide-trapping platform for high-performance lithium–sulfur batteries

  摘要：

  锰簇基MOF与丰富的OMS被首次用作锂硫电池的阴极。

  DOI：

  10.1039/c8ta09973a

文献信息

• Naaladase inhibitors for treating retinal disorders and glaucoma
  申请人：——

  公开号：US20030036534A1

  公开（公告）日：2003-02-20

  The present invention relates to pharmaceutical compositions and methods for treating a retinal disorder or glaucoma using NAALADase inhibitors.

  本发明涉及使用NAALADase抑制剂治疗视网膜疾病或青光眼的药物组合物和方法。
• Naaladase inhibitors for treating amyotrophic lateral sclerosis
  申请人：——

  公开号：US20020013295A1

  公开（公告）日：2002-01-31

  The present invention relates to pharmaceutical compositions and methods for treating amyotrophic lateral sclerosis using NAALADase inhibitors.

  该发明涉及使用NAALADase抑制剂治疗肌萎缩侧索硬化症的药物组合物和方法。
• Benzenedicarboxylic acid derivatives
  申请人：——

  公开号：US20020019430A1

  公开（公告）日：2002-02-14

  New benzenedicarboxylic acid derivative compounds; pharmaceutical compositions, diagnostic methods, and diagnstic kits that include those compounds; and methods of using those compounds for inhibiting NAALADase enzyme activity, detecting diseases where NAALADase levels are altered, effecting neuronal activity, effecting TGF-&bgr; activity, inhibiting angiogenesis, and treating glutamate abnormalities, neutopathy, pain, compulsive disorders, prostate diseases, cancers, and glaucoma.

  新苯二甲酸衍生物化合物；包括这些化合物的药物组合物、诊断方法和诊断试剂盒；以及使用这些化合物抑制NAALADase酶活性、检测NAALADase水平发生变化的疾病、影响神经元活动、影响TGF-β活性、抑制血管生成以及治疗谷氨酸异常、神经病变、疼痛、强迫性障碍、前列腺疾病、癌症和青光眼的方法。
• Unique Proton Dynamics in an Efficient MOF-Based Proton Conductor
  作者：Yong-Sheng Wei、Xiao-Peng Hu、Zhen Han、Xi-Yan Dong、Shuang-Quan Zang、Thomas C. W. Mak

  DOI：10.1021/jacs.6b12847

  日期：2017.3.8

  (N-H···O) hydrogen-bonded chains aligned parallel to the c-axis. Facile proton transfer along these chains endows the compound with single-crystal anhydrous conductivity of 1.25 × 10-3 S·cm-1 at 150 °C, and water-assisted proton conductivity for a compacted pellet of microcrystalline crystals attains 3.76 × 10-3 S·cm-1 at 100 °C and 98% relative humidity (RH). Proton dynamics (vibrating and transfer)

  近年来，金属有机骨架（MOFs）作为一种新型质子传导材料的研究取得了许多令人振奋的成果。然而，在 MOF 和其他结晶化合物中直接观察已建立的质子转移机制仍然具有挑战性，更不用说其他导电材料了。在此，我们报告了一种新的质子传导 MOF，(Me2NH2)[Eu(L)]（H4L = 5-（膦酰基甲基）间苯二甲酸）的溶剂热合成。该化合物由层状阴离子骨架 [Eu(L)]- 和层间嵌入的抗衡阳离子 (Me2NH2)+ 组成，它们与相邻的膦酸酯基团的未配位 O 原子相互作用，形成强 (NH…O) 氢键链与 c 轴平行。沿着这些链的轻松质子转移赋予该化合物单晶无水电导率为 1。在 150 °C 时为 25 × 10-3 S·cm-1，并且在 100 °C 和 98% 相对湿度（RH ）。使用各向异性电导率测量和使用大型单晶和粒状样品的控制实验相结合，原位变温表征技术，包括粉末 X-，直接观察化合物的 NH…O
• Naaladase inhibitors for treating huntington's disease
  申请人：Slusher S. Barbara

  公开号：US20050080139A1

  公开（公告）日：2005-04-14

  This invention relates to a pharmaceutical composition and a method for treating Huntington's disease using NAAL-ADase inhibitors.

  本发明涉及一种药物组合物及使用NAAL-ADase抑制剂治疗亨廷顿氏病的方法。