2-羟基-5-(羟基甲基)苯甲酸 | 7437-20-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-羟基-5-(羟基甲基)苯甲酸
• 中文别名: 5-羟甲基水杨酸钠盐
• 英文名称: 2-hydroxy-5-(hydroxymethyl)benzoic acid
• 英文别名: 2-hydroxy-5-(hydroxymethyl)benzoicacid；2-hydroxy-5-hydroxymethyl-benzoic acid；2-Hydroxy-5-hydroxymethyl-benzoesaeure；6.3¹-Dioxy-3-methyl-benzol-carbonsaeure-(1)；6.3¹-Dioxy-m-toluylsaeure；5-Oxymethyl-salicylsaeure
• CAS: 7437-20-9
• 化学式: C₈H₈O₄
• mdl: MFCD01321086
• 分子量: 168.149
• InChiKey: IHKBGCFBEGPHQF-UHFFFAOYSA-N

物化性质

• 沸点：
  404.1±40.0 °C(Predicted)
• 密度：
  1.472±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  77.8
• 氢给体数：
  3
• 氢受体数：
  4

安全信息

• 危险性防范说明：
  P264,P280,P302+P352,P337+P313,P305+P351+P338,P362+P364,P332+P313
• 危险性描述：
  H315,H319
• 储存条件：
  存储条件：室温、密封、干燥

反应信息

• 作为反应物：
  描述：

  2-羟基-5-(羟基甲基)苯甲酸 、 alkaline earth salt of/the/ methylsulfuric acid 生成 4-羟基间苯二甲酸
  参考文献：
  名称：

  Characterization and localization of cytochrome P450 mediated metabolism of MPTP to nor-MPTP in mouse brain: Relevance to Parkinson’s disease

  摘要：

  1-Methyl, 4-phenyl,l,2,5,6,tetrahydropyridine (MPTP) is a dopaminergic toxin which produces Parkinson's disease-like symptoms in primates and dopaminergic cell loss in mice. MPTP is bioactivated through monoamine oxidase to MPP+ and detoxified by cytochrome P450 to nor-MPTP. We have examined metabolisms of MPTP to nor-MPTP by mouse brain microsomes and compared it with corresponding activity in liver. In brain, but not in liver, this biotransformation was completely abolished by quinidine, an inhibitor of P4502D. Northern blotting experiments demonstrated constitutive expression of cytochrome P4502D in mouse brain. A fluorescencein situ hybridization study of mouse brain showed presence of P4502D mRNA predominantly in neuronal cells within the cortex, hippocampus, thalamus, Purkinje and granule cell layers of the cerebellum and in the reticular neurons of midbrain. Striatal neurons were sparsely stained indicating a relative paucity of expression. These studies demonstrate for the first time that detoxification of MPTP to nor-MPTP occurs in mouse brain through cytochrome P4502D which is primarily localized in neuronal cells. Cytochrome P4502D6 is known to exhibit genetic polymorphism in humans, and a defect in this isoform could potentially lead to decreased detoxification of neurotoxins in certain neuronal sub-population, which in turn may have implications in pathogenesis of Parkinson's disease.

  DOI：

  10.1007/bf03033198
• 作为产物：
  描述：

  4-羟基间苯二甲酸 在 氢氧化钾 、 sodium amalgam 、 氯仿 、 水 作用下， 生成 2-羟基-5-(羟基甲基)苯甲酸
  参考文献：
  名称：

  Characterization and localization of cytochrome P450 mediated metabolism of MPTP to nor-MPTP in mouse brain: Relevance to Parkinson’s disease

  摘要：

  1-Methyl, 4-phenyl,l,2,5,6,tetrahydropyridine (MPTP) is a dopaminergic toxin which produces Parkinson's disease-like symptoms in primates and dopaminergic cell loss in mice. MPTP is bioactivated through monoamine oxidase to MPP+ and detoxified by cytochrome P450 to nor-MPTP. We have examined metabolisms of MPTP to nor-MPTP by mouse brain microsomes and compared it with corresponding activity in liver. In brain, but not in liver, this biotransformation was completely abolished by quinidine, an inhibitor of P4502D. Northern blotting experiments demonstrated constitutive expression of cytochrome P4502D in mouse brain. A fluorescencein situ hybridization study of mouse brain showed presence of P4502D mRNA predominantly in neuronal cells within the cortex, hippocampus, thalamus, Purkinje and granule cell layers of the cerebellum and in the reticular neurons of midbrain. Striatal neurons were sparsely stained indicating a relative paucity of expression. These studies demonstrate for the first time that detoxification of MPTP to nor-MPTP occurs in mouse brain through cytochrome P4502D which is primarily localized in neuronal cells. Cytochrome P4502D6 is known to exhibit genetic polymorphism in humans, and a defect in this isoform could potentially lead to decreased detoxification of neurotoxins in certain neuronal sub-population, which in turn may have implications in pathogenesis of Parkinson's disease.

  DOI：

  10.1007/bf03033198

文献信息

• [EN] NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS<br/>[FR] DERIVES DE NICOTINAMIDE UTILES EN TANT QU'INHIBITEURS DE PDE4
  申请人：PFIZER LTD

  公开号：WO2005009965A1

  公开（公告）日：2005-02-03

  This invention relates to nicotinamide derivative of general formula (I), in which R1, R2 and R3 have the meanings defined herein, and to compositions containing and the uses of such derivatives as PDE4 inhibitors.

  这项发明涉及一般式(I)的烟酰胺衍生物，其中R1、R2和R3具有本文中定义的含义，以及含有这些衍生物并将其用作PDE4抑制剂的组合物。
• Substituted benzene derivatives useful as neuraminidase inhibitors
  申请人：BioCryst Pharmaceuticals, Inc.

  公开号：US05602277A1

  公开（公告）日：1997-02-11

  A compound of the Formula (I): ##STR1## or pharmaceutically-suitable salts or prodrug forms thereof, wherein: n is 0-1; m is 0; p is 0-1; R.sup.1 is --CO.sub.2 H; R.sup.2 is selected from the group consisting of H, --OH, and --NH.sub.2 ; R.sup.3 is H; R.sup.4 is --C(O)NHR.sup.8 ; R.sup.5 is --NHC(R.sup.6)NH.sub.2 R.sup.6 is selected from the group consisting of .dbd.NH, .dbd.NOH, .dbd.NCN, .dbd.O, and .dbd.S; and R.sup.8 is selected from the group consisting of C.sub.1 -C.sub.4 linear or branched alkyl substituted with 0-3 halogens on each carbon.

  化合物的化学式（I）：##STR1##或其药用盐或前药形式，其中：n为0-1；m为0；p为0-1；R.sup.1为--CO.sub.2 H；R.sup.2选自H、--OH和--NH.sub.2的组；R.sup.3为H；R.sup.4为--C（O）NHR.sup.8；R.sup.5为--NHC（R.sup.6）NH.sub.2 R.sup.6选自.dbd.NH、.dbd.NOH、.dbd.NCN、.dbd.O和.dbd.S的组；R.sup.8选自每个碳上取代有0-3卤素的C.sub.1-C.sub.4直链或支链烷基的组。
• Protein Kinase Inhibitors and Methods for Identiying Same
  申请人：Lawrence S. David

  公开号：US20070254312A1

  公开（公告）日：2007-11-01

  Inhibitors of protein kinase C (PKC)α, PKCδ and PKCζ are provided which are selective for those PKC isotypes. Combinatorial libraries for identifying protein kinases are also provided, as are methods of identifying protein kinases using those libraries. Additionally, methods of treating a mammal having a deleterious condition, where the condition is dependent on a protein kinase for induction or severity, are provided. Methods of inhibiting protein kinases are also provided.

  提供了特异性作用于蛋白激酶C（PKC）α、PKCδ和PKCζ的抑制剂，以及用于识别蛋白激酶的组合化学文库，以及利用这些文库识别蛋白激酶的方法。此外，还提供了用于治疗患有依赖蛋白激酶诱导或严重性的有害状况的哺乳动物的方法。同时还提供了抑制蛋白激酶的方法。
• Preparation, spectral and biological investigation of formaldehyde-based ligand containing piperazine moiety and its various polymer metal complexes
  作者：Shamim Ahmad Khan、Nahid Nishat、Shadma Parveen、Raza Rasool

  DOI：10.1016/j.saa.2011.06.012

  日期：2011.10

  characterized by elemental analysis, IR, (1)H NMR and electronic spectral studies. The thermal stability was determined by thermogravimetric analysis and thermal data revealed that all the polymer metal complexes show good thermal stability than their parent ligand. Electronic spectral data and magnetic moment values revealed that polymer metal complexes of Mn(II), Co(II) and Ni(II) show an octahedral geometry

  在碱催化剂的存在下，通过水杨酸，甲醛和哌嗪的缩合反应合成了一种新的含哌嗪部分的四齿水杨酸-甲醛配体，用于制备锰（II），钴等金属离子配位聚合物。 （II），铜（II），镍（II）和锌（II）。通过元素分析，IR，（1）H NMR和电子光谱研究对所有合成的高分子化合物进行了表征。通过热重分析确定热稳定性，并且热数据表明，所有聚合物金属配合物均比其母体配体表现出良好的热稳定性。电子光谱数据和磁矩值表明，Mn（II），Co（II）和Ni（II）呈现八面体几何形状，而Cu（II）和Zn（II）分别呈现扭曲的八面体和四面体几何形状。配体和配位聚合物的抗菌筛选是通过琼脂井扩散法对各种细菌和真菌进行的。从数据可以明显看出，螯合时抗菌和抗真菌活性增强，所有聚合物金属配合物均比其母体配体表现出优异的抗菌活性。
• Nicotinamide derivatives useful as PDE4 inhibitors
  申请人：Bunnage Edward Mark

  公开号：US20050038033A1

  公开（公告）日：2005-02-17

  This invention relates to nicotinamide derivatives of general formula (I): in which R 1 , R 2 and R 3 have the meanings defined herein, and to processes for the preparation of, intermediates used in the preparation of, compositions containing and the uses of such derivatives.

  本发明涉及一般式（I）的烟酰胺衍生物，其中R1、R2和R3具有在此定义的含义，以及制备这些衍生物所使用的中间体、含有这些衍生物的组合物和使用这些衍生物的方法。