5-环己基水杨酸 | 1855-23-8

• 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: 5-环己基水杨酸
• 英文名称: 5-cyclohexyl-2-hydroxybenzoic acid
• 英文别名: 5-Cyclohexylsalicylic acid
• CAS: 1855-23-8
• 化学式: C₁₃H₁₆O₃
• mdl: MFCD01104674
• 分子量: 220.268
• InChiKey: GZEPXNUXMPYSOQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.461
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2918290000

反应信息

• 作为反应物：
  描述：

  5-环己基水杨酸 、 2-氯-N,N-二甲基-1-丙胺 生成 5-cyclohexyl-2-hydroxy-benzoic acid-(β-dimethylamino-isopropyl ester); hydrochloride
  参考文献：
  名称：

  US2730544

  摘要：

  公开号：
• 作为产物：
  描述：

  对环己基苯酚 在 二硫化碳 、 乙醚 、 氢碘酸 、 溴 作用下， 生成 5-环己基水杨酸
  参考文献：
  名称：

  Synthetic Choleretics. II. Phenol Derivatives¹

  摘要：

  DOI：

  10.1021/ja01106a014

文献信息

• Diflunisal Derivatives as Modulators of ACMS Decarboxylase Targeting the Tryptophan–Kynurenine Pathway
  作者：Yu Yang、Timothy Borel、Francisco de Azambuja、David Johnson、Jacob P. Sorrentino、Chinedum Udokwu、Ian Davis、Aimin Liu、Ryan A. Altman

  DOI：10.1021/acs.jmedchem.0c01762

  日期：2021.1.14

  quinolinic acid, the precursor for de novo biosynthesis of nicotinamide adenine dinucleotide (NAD+). In a competing reaction, ACMS is decarboxylated by ACMS decarboxylase (ACMSD) for further metabolism and energy production. Therefore, the inhibition of ACMSD increases NAD+ levels. In this study, an Food and Drug Administration (FDA)-approved drug, diflunisal, was found to competitively inhibit ACMSD.

  在色氨酸降解的犬尿氨酸途径中，一种不稳定的代谢中间体 α-氨基-β-羧基粘康酸-ε-半醛 (ACMS) 可以非酶环化形成喹啉酸，这是从头生物合成烟酰胺腺嘌呤二核苷酸 (NAD + )的前体. 在竞争反应中，ACMS 被 ACMS 脱羧酶 (ACMSD) 脱羧，以进一步代谢和产生能量。因此，抑制 ACMSD 会增加 NAD +水平。在这项研究中，发现食品和药物管理局 (FDA) 批准的药物二氟尼柳可竞争性抑制 ACMSD。ACMSD 与二氟尼柳的复杂结构揭示了一种以前未知的配体结合模式，并且与抑制测定的结果以及构效关系 (SAR) 研究一致。此外，两种合成的二氟尼柳衍生物的半数最大抑制浓度 (IC 50 ) 值分别比二氟尼柳高 1 个数量级，分别为 1.32 ± 0.07 μM ( 22 ) 和 3.10 ± 0.11 μM ( 20 )。结果表明二氟尼柳衍生物具有调节 NAD +水平。这里
• [EN] COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME<br/>[FR] COMPOSÉS UTILES DANS LE TRAITEMENT DE TROUBLES MÉTABOLIQUES ET LEUR SYNTHÈSE
  申请人：UNIV NORTH CAROLINA

  公开号：WO2014165816A1

  公开（公告）日：2014-10-09

  The present invention provides compounds of Formula (I): wherein variables X, Y, Z and R1 are as described herein. Some of the compounds described herein are glutamate dehydrogenase activators. The invention is also directed to pharmaceutical compositions comprising these compounds, uses of these compounds and compositions in the treatment of metabolic disorders as well as synthesis of the compounds.

  本发明提供了式(I)化合物：其中变量X、Y、Z和R1如本文所述。本文所述的一些化合物是谷氨酸脱氢酶激活剂。本发明还涉及包含这些化合物的药物组合物、这些化合物和组合物在治疗代谢紊乱中的用途以及这些化合物的合成。
• METHOD OF PRODUCING AROMATIC AMINO COMPOUNDS
  申请人：Yokoyama Norimasa

  公开号：US20110257404A1

  公开（公告）日：2011-10-20

  [Problem] To provide a method of producing an aromatic amino compound by using a primary or secondary amine compound and a halogenated aromatic compound as starting materials, and relying upon the Ullmann reaction, the method being capable of obtaining the highly pure aromatic amino compound in high yields and inexpensively. [Means for Solution] A method of producing an aromatic amino compound by using a primary or secondary amine compound having an aromatic ring group and a halogenated aromatic compound as starting materials, reacting the amine compound with the halogenated aromatic compound in the presence of a copper catalyst and a base so as to produce the aromatic amino compound having a structure in which an aromatic ring group derived from the halogenated aromatic compound is coupled to the amino group of the amine compound, wherein the amine compound and the halogenated aromatic compound are reacted together under a condition where an aromatic oxycarboxylic acid having a hydroxyl group and a hydroxycarbonyl group that are bonded to neighboring carbon atoms, is made present together with the copper catalyst and the base.

  提供一种通过使用一种主要或次要胺化合物和一种卤代芳香化合物作为起始原料，依靠乌尔曼反应来生产芳香氨基化合物的方法，该方法能够以高产率和低成本获得高纯度的芳香氨基化合物。 通过使用具有芳香环基团的主要或次要胺化合物和一种卤代芳香化合物作为起始原料，在铜催化剂和碱的存在下将胺化合物与卤代芳香化合物反应，从而产生具有芳香环基团从卤代芳香化合物衍生的结构的芳香氨基化合物，其中胺化合物和卤代芳香化合物在存在具有羟基和羟基羰基团结合到相邻碳原子的芳香氧羧酸的条件下与铜催化剂和碱一起反应。
• COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME
  申请人：NORTH CAROLINA CENTRAL UNIVERSITY

  公开号：US20160046560A1

  公开（公告）日：2016-02-18

  The present invention provides compounds of Formula (I): wherein variables X, Y, Z and R1 are as described herein. Some of the compounds described herein are glutamate dehydrogenase activators. The invention is also directed to pharmaceutical compositions comprising these compounds, uses of these compounds and compositions in the treatment of metabolic disorders as well as synthesis of the compounds.

  本发明提供了一些式子为(I)的化合物：其中变量X、Y、Z和R1如本文所述。其中一些化合物是谷氨酸脱氢酶激活剂。本发明还涉及包含这些化合物的药物组合物，以及这些化合物和组合物在治疗代谢性疾病方面的用途以及化合物的合成。
• Polyvalent metal salt of salicylic acid resin and process for preparing it
  申请人：MITSUI TOATSU CHEMICALS, INCORPORATED

  公开号：EP0659580A1

  公开（公告）日：1995-06-28

  A process for preparing a polyvalent metal salt of a salicylic acid resin which comprises the steps of reacting salicylic acid or its derivative with styrene or its derivative at a temperature of -20°C or higher but lower than 40°C in the presence of sulfuric acid, and then reacting the resulting reaction product with a polyvalent metal compound; an aqueous dispersion in which the polyvalent metal salt of the resin is dispersed in water; and a developing sheet in which the polyvalent metal salt of the salicylic acid resin is used.

  一种制备水杨酸树脂多价金属盐的工艺，包括以下步骤：在-20℃或更高但低于 40℃的温度下，在硫酸存在下，使水杨酸或其衍生物与苯乙烯或其衍生物反应，然后使生成的反应产物与多价金属化合物反应；将树脂的多价金属盐分散在水中的水分散液；以及使用水杨酸树脂的多价金属盐的显影薄片。