3-carboxy-2,2'-dihydroxydiphenylmethane | 55232-61-6

• 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: 3-carboxy-2,2'-dihydroxydiphenylmethane
• 英文别名: 2-hydroxy-3-(2-hydroxy-benzyl)-benzoic acid；2-Hydroxy-3-(2-hydroxy-benzyl)-benzoesaeure；2-Hydroxy-3-[(2-hydroxyphenyl)methyl]benzoic acid
• CAS: 55232-61-6
• 化学式: C₁₄H₁₂O₄
• 分子量: 244.247
• InChiKey: SVWUMHDUKLYCAV-UHFFFAOYSA-N

物化性质

• 沸点：
  454.2±45.0 °C(Predicted)
• 密度：
  1.370±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  77.8
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-carboxy-2,2'-dihydroxydiphenylmethane 在 lithium aluminium tetrahydride 、 乙醚 作用下， 生成 2,2'-dihydroxy-3-(hydroxymethyl)diphenylmethane
  参考文献：
  名称：

  Finn et al., Journal of Applied Chemistry, 1954, vol. 4, p. 296,299

  摘要：

  DOI：
• 作为产物：
  描述：

  5-溴水杨酸甲酯 在 sodium hydroxide 、 aluminum nickel 、 硫酸 作用下， 反应 9.5h， 生成 3-carboxy-2,2'-dihydroxydiphenylmethane
  参考文献：
  名称：

  Participation of Two Carboxyl Groups in Phosphodiester Hydrolysis. 2. A Kinetic, Isotopic, and 31P NMR Study of the Hydrolysis of a Phosphodiester with Carboxyl Groups Fixed in an Attack Conformation

  摘要：

  The phosphodiesters of 4,4'-methylenebis(3-hydroxy-2-naphthoic acid) (4) and 3-carboxy-2,2'-dihydroxy-diphenylmethane (5) are constrained into a cyclic structure such that the oxygens of the two o-carboxy groups of 4 and the single o-carboxy group of 5 have restricted stereospecific positions with an o-CO2- oxygen to phosphorus distance of 3.7 Angstrom. In the hydrolysis of 4, P-31 NMR and HPLC data show the existence of an intermediate cyclic acyl phosphate in the g,g conformation. The O-18 isotopic effects on P-31 chemical shifts show incorporation of two O-18 atoms in the product H3PO4. This observation is consistent with intramolecular o-CO2- nucleophilic attack on phosphorus to provide an acyl phosphate intermediate which undergoes hydrolytic cleavage by HO-/(HO-)-O-18 attack on phosphorus (one O-18 incorporation) to provide a phosphate monoester which also undergoes hydrolysis with a second O-18 incorporation on phosphorus. For hydrolysis of 4, the pH vs log k(obsd) profile, the values of the deuterium solvent kinetic isotope effect, and the activation entropy accord a mechanism which involves intramolecular attack of o-CO2- on the phosphate phosphorus assisted by the o-CO2H as a general acid catalyst, The latter can involve o-CO2H hydrogen bonding to the -(PO2-)- oxygen(s) and/or leaving phenolic oxygen. At neutrality, 4 hydrolyzes ca. 10(4) fold faster than 5 which only has one o-carboxy group and 10(8)-10(9)-fold faster than diphenyl phosphate.

  DOI：

  10.1021/ja00154a006

文献信息

• [EN] SYNTHESIS OF RESORCYLIC ACID LACTONES USEFUL AS THERAPEUTIC AGENTS<br/>[FR] SYNTHÈSE DE LACTONES D'ACIDE RÉSORCYLIQUE UTILES EN TANT QU'AGENTS THÉRAPEUTIQUES
  申请人：UNIV STRASBOURG

  公开号：WO2009091921A1

  公开（公告）日：2009-07-23

  Disclosed are macrocyclic compounds of formulae I, I', II, II', III, III', IV, and V, which are analogs of the pochonin resorcylic acid lactones, pharmaceutical compositions comprising the compounds, and methods and uses comprising the compounds for the treatment of diseases mediated by kinases and Heat Shock Protein 90 HSP90.

  公开的是式I、I'、II、II'、III、III'、IV和V的大环化合物，它们是pochonin resorcylic acid lactones的类似物，包括这些化合物的药物组合物，以及包括这些化合物用于治疗由激酶和热休克蛋白90 HSP90介导的疾病的方法和用途。
• 1,3-Bis-(substituted-phenyl)-2-propyn-1-ones and their use to treat disorders
  申请人：——

  公开号：US20030232877A1

  公开（公告）日：2003-12-18

  The invention relates to compounds, pharmaceutical compositions and methods of using compounds of the general formula 1 or its pharmaceutically acceptable salt or ester, wherein the substituents are defined in the application.

  这项发明涉及通式1的化合物、药物组合物和使用该化合物的方法，其中取代基在申请中定义。
• CONJUGATES OF WATER SOLUBLE POLYMER-AMINO ACID OLIGOPEPTIDE-DRUG, PREPARATION METHOD AND USE THEREOF
  申请人：JENKEM TECHNOLOGY CO. LTD. TIANJIN BRANCH

  公开号：US20150359900A1

  公开（公告）日：2015-12-17

  A conjugate of water soluble polymer-amino acid oligopeptide-drug of Formula (I) below and a pharmaceutical composition comprising the conjugate are provided. In the conjugate, P is a water soluble polymer; X is a linking group, wherein the linking group links P and A 1 ; each of A 1 , A 2 and A 3 is independently same or different amino acid residue or amino acid analogue residue; each of D 1 and D 2 is independently same or different drug molecule residue; a is 0 or 1; b is an integer of 2-12; c is an integer of 0-7; d is 0 or 1. The conjugate could improve drug load capacity, water solubility, stability and activity of the drug.

  提供一种水溶性聚合物-氨基酸寡肽-药物的共轭物，其化学式（I）如下，并提供包含该共轭物的制药组合物。在该共轭物中，P是水溶性聚合物；X是一个连接基团，连接基团连接P和A1；A1、A2和A3中的每一个独立地是相同或不同的氨基酸残基或氨基酸类似物残基；D1和D2中的每一个独立地是相同或不同的药物分子残基；a为0或1；b是2-12的整数；c是0-7的整数；d为0或1。该共轭物能够提高药物的载荷能力、水溶性、稳定性和活性。
• METHODS OF NEUROPROTECTION USING NEUROPROTECTIVE STEROIDS AND A VITAMIN D
  申请人：Stein Donald G.

  公开号：US20110306579A1

  公开（公告）日：2011-12-15

  Described herein are compositions and methods for treating or preventing nervous system injury. In particular, the methods and compositions relate to the use of at least one neuroprotective steroid, such as progesterone, and vitamin D.

  本文描述了用于治疗或预防神经系统损伤的组合物和方法。具体而言，这些方法和组合物涉及使用至少一种神经保护类固醇，如孕激素，和维生素D。
• [EN] NOVEL SALT FORMS OF POORLY SOLUBLE PROBUCOL ESTERS AND ETHERS<br/>[FR] NOUVELLES FORMES DE SELS D'ETHERS ET D'ESTERS DE PROBUCOL FAIBLEMENT SOLUBLES
  申请人：ATHEROGENICS INC

  公开号：WO2004007423A1

  公开（公告）日：2004-01-22

  Organic amine salts of compounds of formula (I), and their pharmaceutically acceptable salts, and uses in medical therapy are provided.

  提供了公式（I）化合物的有机胺盐及其药用可接受的盐，并用于医学治疗。