sodium hydrogen phthalate hemihydrate | 827-27-0

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 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: sodium hydrogen phthalate hemihydrate
• 英文别名: sodium hydrogen phthalate；sodium hydrogenphthalate；sodium acid phthalate；Phthalic acid sodium；sodium phthalate；phthalic acid ; sodium hydrogenphthalate；1,2-Benzenedicarboxylic acid, monosodium salt；sodium;2-carboxybenzoate
• CAS: 827-27-0
• 化学式: C₈H₅O₄*Na
• 分子量: 188.115
• InChiKey: IZUPJOYPPLEPGM-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -4.47
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  80.3
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2916399090
• 危险性防范说明：
  P261,P271,P304+P340,P312,P403+P233,P405,P501
• 危险性描述：
  H335

制备方法与用途

用途：在中和法中作为基准，配制缓冲溶液，以及用于有机合成。

反应信息

• 作为反应物：
  描述：

  sodium hydrogen phthalate hemihydrate 、 氯乙酸乙酯 生成 phthaloyldioxydi-acetic acid diethyl ester
  参考文献：
  名称：

  Senff, Justus Liebigs Annalen der Chemie, 1881, vol. 208, p. 275

  摘要：

  DOI：
• 作为产物：
  描述：

  邻苯二甲酸 在 碳酸氢钠 作用下， 以 水 为溶剂， 生成 sodium hydrogen phthalate hemihydrate
  参考文献：
  名称：

  Effect of L-Valine on the growth and characterization of Sodium Acid Phthalate (SAP) single crystals

  摘要：

  Undoped and amino acid doped good quality single crystals of Sodium Acid Phthalate crystals (SAP) were grown by slow evaporation solution growth technique which are semiorganic in nature. The effect of amino acid (L-Valine) dopant on the growth and the properties of SAP single crystal was investigated. The single crystal X-ray diffraction studies and FT-IR studies were carried out to identify the crystal structure and the presence of functional groups in undoped and L-Valine doped SAP crystals. The transparent nature of the grown crystal was observed using UV-Visible spectrum. The thermal decomposition of the doped SAP crystals was investigated by thermo gravimetric analysis (TGA) and differential thermal analysis (DTA). The enhancement in the NLO property of the undoped and L-Valine doped SAP crystals using KDP crystal as a reference was studied using SHG measurements. Vickers micro hardness measurements are used for the study of mechanical strength of the grown crystals. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2013.03.070

文献信息

• Water soluble prodrugs of COX-2 inhibitors
  申请人：Payne E. Joseph

  公开号：US20060189682A1

  公开（公告）日：2006-08-24

  Disclosed are water soluble compounds which are useful as prodrugs of COX-2 inhibitors, and pharmaceutical compositions comprising them.

  揭示了作为COX-2抑制剂的前药有用的水溶性化合物，以及包含它们的药物组合物。
• [EN] PRODRUGS OF MYELOPEROXIDASE INHIBITORS<br/>[FR] PROMÉDICAMENTS D'INHIBITEURS DE LA MYÉLOPEROXYDASE
  申请人：BIOHAVEN THERAPEUTICS LTD

  公开号：WO2021072140A1

  公开（公告）日：2021-04-15

  Disclosed are prodrugs of myeloperoxidase (MPO) inhibitors, methods of treating MPO related disorders, e.g., multiple system atrophy, amyotrophic lateral sclerosis, and Huntingtons disease, and methods of neuroprotection, which include administering to a patient in need thereof the prodrugs, pharmaceutical compositions including the prodrugs, and kits including the pharmaceutical compositions and instructions for use.

  揭示了髓过氧化物酶（MPO）抑制剂的前药，治疗MPO相关疾病的方法，例如多系统萎缩症、肌萎缩侧索硬化和亨廷顿病，以及神经保护方法，包括向需要的患者施用前药，包括前药的药物组合物，以及包括药物组合物和使用说明的工具包。
• [EN] POLYETHYLENE GLYCOL CONJUGATES OF HETEROCYCLOALKYL CARBOXAMIDO PROPANOIC ACIDS<br/>[FR] CONJUGUES A BASE DE POLYETHYLENE GLYCOL D'ACIDES HETEROCYCLOALKYL CARBOXAMIDO PROPANOIQUES
  申请人：ELAN PHARM INC

  公开号：WO2005070921A1

  公开（公告）日：2005-08-04

  Disclosed are conjugates which bind VLA-4. Certain of these conjugates also inhibit leukocyte adhesion and, in particular, leukocyte adhesion mediated by VLA-4. Such conjugates are useful in the treatment of inflammatory diseases in a mammalian patient, e.g., human, such as asthma, Alzheimer’s disease, atherosclerosis, AIDS, dementia, diabetes, inflammatory bowel disease, rheumatoid arthritis, tissue transplantation, tumor metastasis and myocardial ischemia. The conjugates can also be administered for the treatment of inflammatory brain diseases such as multiple sclerosis.

  公开的是结合VLA-4的偶联物。其中一些偶联物还抑制白细胞粘附，尤其是VLA-4介导的白细胞粘附。这类偶联物可用于治疗哺乳动物患者，如人类的炎症性疾病，例如哮喘、阿尔茨海默病、动脉粥样硬化、艾滋病、痴呆、糖尿病、炎症性肠病、类风湿性关节炎、组织移植、肿瘤转移和心肌缺血。这些偶联物还可用于治疗炎症性脑病，如多发性硬化症。
• Multimeric VLA-4 antagonists comprising polymer moieties
  申请人：Konradi W. Andrei

  公开号：US20060013799A1

  公开（公告）日：2006-01-19

  Disclosed are conjugates which bind VLA-4. Certain of these conjugates also inhibit leukocyte adhesion and, in particular, leukocyte adhesion mediated by VLA-4. Such conjugates are useful in the treatment of inflammatory diseases in a mammalian patient, e.g., human, such as asthma, Alzheimer's disease, atherosclerosis, AIDS dementia, diabetes, inflammatory bowel disease, rheumatoid arthritis, tissue transplantation, tumor metastasis and myocardial ischemia. The conjugates can also be administered for the treatment of inflammatory brain diseases such as multiple sclerosis.

  公开的是结合VLA-4的偶联物。其中一些偶联物还能抑制白细胞粘附，特别是VLA-4介导的白细胞粘附。这类偶联物可用于治疗哺乳动物患者，如人类的炎症性疾病，例如哮喘、阿尔茨海默病、动脉粥样硬化、艾滋病痴呆、糖尿病、炎症性肠病、类风湿性关节炎、组织移植、肿瘤转移和心肌缺血。这些偶联物还可用于治疗炎症性脑病，如多发性硬化症。
• [EN] CHIRAL COMPOUNDS OF VARYING CONFORMATIONAL RIGIDITY AND METHODS OF SYNTHESIS<br/>[FR] COMPOSÉS CHIRAUX À RIGIDITÉ DE CONFORMATION VARIABLE ET LEURS PROCÉDÉS DE SYNTHÈSE
  申请人：SCRIPPS RESEARCH INST

  公开号：WO2013036753A1

  公开（公告）日：2013-03-14

  Synthesis of compounds having varying degrees of conformational rigidity is obtained via a low cost, high yield and efficient synthetic reactions. The library of compounds is structurally diverse, having at least one or more chiral centers and providing large numbers of compounds having building block diversity and substantial scaffold diversity. The compounds further provide a novel method for obtaining candidate therapeutic agents for prevention, treatment or diagnosis of diseases.

  通过低成本、高产率和高效的合成反应，可以合成具有不同程度构象刚性的化合物。这些化合物库在结构上多样，至少具有一个或多个手性中心，并提供大量具有构建块多样性和基本支架多样性的化合物。这些化合物进一步提供了一种新颖的方法，用于获得用于预防、治疗或诊断疾病的候选治疗剂。

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