2,5-dichloro-3,4-dihydroxybenzoic acid | 108098-45-9

• 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: 2,5-dichloro-3,4-dihydroxybenzoic acid
• 英文别名: 2,5-dichloro-3,4-dihydroxy-benzoic acid；2,5-Dichlor-3,4-dihydroxy-benzoesaeure；2.5-Dichlor-protocatechusaeure；2.5-dichloro-3,4-dihydroxybenzoic acid；Benzoic acid, dichloro-3,4-dihydroxy-
• CAS: 108098-45-9
• 化学式: C₇H₄Cl₂O₄
• 分子量: 223.012
• InChiKey: DPZVBCKHYREJNV-UHFFFAOYSA-N

物化性质

• 沸点：
  370.6±42.0 °C(Predicted)
• 密度：
  1.817±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 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：

  2,5-dichloro-3,4-dihydroxybenzoic acid 在 potassium carbonate 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 2,5-dichloro-3,4-bis((4-methoxybenzyl)oxy)benzoic acid
  参考文献：
  名称：

  Cefiderocol (S-649266), A new siderophore cephalosporin exhibiting potent activities against Pseudomonas aeruginosa and other gram-negative pathogens including multi-drug resistant bacteria: Structure activity relationship

  摘要：

  The structure-activity relationship (SAR) for a novel series of catechol conjugated siderophore cephalosporins is described with their in vitro activities against multi-drug resistant Gram-negative pathogens including Pseudomonas aeruginosa, Acinetobacter baumannii, Stenotrophomonas maltophilia and Enterobacteriaceae. Cefiderocol (3) was one of the best molecules which displayed well-balanced and potent activities against multi-drug resistant Gram-negative pathogens including carbapenem resistant bacteria among the prepared compounds with the modified C-7 side chain and the modified C-3 side chain. Cefiderocol (3) is a highly promising parenteral cephalosporin for the treatment of multi-drug resistant Gram-negative infection. (C) 2018 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2018.06.014
• 作为产物：
  描述：

  原儿茶酸 在 磺酰氯 作用下， 以 溶剂黄146 为溶剂， 以33%.的产率得到2,5-dichloro-3,4-dihydroxybenzoic acid
  参考文献：
  名称：

  Piperaziniocephalosporins

  摘要：

  公式为：##STR1##其中R.sup.1为氨基或酰氨基；R.sup.2为H或甲氧基；R.sup.3为烷基；R.sup.4为--(P--C--Q).sub.n --，其中P和Q分别为H、烷基或OH，或P和Q结合形成氧化物，n为0或4；R.sup.5为取代或未取代的羟基芳基；R.sup.6带有负电荷，为COO，或与可选择保护的羧基结合的阴离子；X为O、S或S.fwdarw.O；包含相同成分的抗菌制剂；通过使用相同的方法杀灭细菌并预防或治疗细菌感染；提供头孢菌素的合成方法。

  公开号：

  US05143910A1

文献信息

• [EN] NOVEL BENZODIOXOLES<br/>[FR] NOUVEAUX BENZODIOXOLES
  申请人：HOFFMANN LA ROCHE

  公开号：WO2004013120A1

  公开（公告）日：2004-02-12

  The present invention relates to compound of formula (I) wherein R1, R2, R3, R4, R5, R6, R7, and X are as defined in the description and claims, and pharmaceutically acceptable salts thereof. The compounds are useful for the treatment and/or prophylaxis of diseases, which are associated with the modulation of CB1 receptors.

  本发明涉及具有式（I）的化合物，其中R1、R2、R3、R4、R5、R6、R7和X如描述和权利要求中所定义，并且其药学上可接受的盐。这些化合物可用于治疗和/或预防与CB1受体调节相关的疾病。
• Cephalosporin compounds and their use
  申请人：Ishimaru, Toshiyasu

  公开号：EP0400805A1

  公开（公告）日：1990-12-05

  A cephalosporin compound of the formula (I): wherein X and Y may be the same or different and are a hydrogen or halogen atom; Z is a hydrogen or halogen atom, -CH=CH₂, -CH=CH-CH₃, -OR¹, -SR² or -CH₂W in which R¹ and R² are a lower alkyl group and W is a hydrogen atom or a nucleophilic residue, its pharmaceutically acceptable salt, a process for preparing the same and their antibacterial composition.

  一种头孢菌素化合物，其化学式为（I）：其中X和Y可能相同或不同，为氢原子或卤素原子；Z为氢原子或卤素原子，-CH=CH₂，-CH=CH-CH₃，-OR¹，-SR²或-CH₂W，其中R¹和R²为较低的烷基基团，W为氢原子或亲核残基，以及其药用可接受盐、制备方法及其抗菌组合物。
• Antibiotic compounds
  申请人：Zeneca Limited

  公开号：US05554606A1

  公开（公告）日：1996-09-10

  The present invention provides a compound of the formula (I) ##STR1## wherein: R.sup.1 is 1-hydroxyethyl, 1-fluoroethyl or hydroxymethyl; R.sup.2 is hydrogen or C.sub.1-4 alkyl; R.sup.3 and R.sup.4 are ortho with respect to one another wherein R.sup.3 and R.sup.4 are independently hydroxy or in vivo hydrolyzable esters thereof; the benzene ring being optionally further substituted; or a pharmaceutically acceptable salt or in vivo hydrolyzable ester thereof.

  本发明提供了一种式（I）的化合物：##STR1## 其中：R1是1-羟乙基，1-氟乙基或羟甲基；R2是氢或C.sub.1-4烷基；R3和R4相对于彼此为邻，其中R3和R4分别独立地为羟基或在体内水解的酯；苯环可进一步取代；或其药学上可接受的盐或在体内水解的酯。
• Benzodioxole derivatives
  申请人：Alanine Alexander

  公开号：US20050143373A1

  公开（公告）日：2005-06-30

  The present invention relates to compounds of the general formula and pharmaceutically acceptable salts thereof. The compounds are useful for the treatment and/or prophylaxis of diseases such as obesity by selective modulation of CB1 receptors.

  本发明涉及一般式的化合物及其药学上可接受的盐。该化合物通过选择性调节CB1受体，对于治疗和/或预防肥胖等疾病是有用的。
• 1,3-BENZODIOXOLE DERIVATIVE
  申请人：Daiichi Sankyo Company, Limited

  公开号：EP3121175A1

  公开（公告）日：2017-01-25

  The present invention provides a compound having a particular chemical structure or a pharmacologically acceptable salt thereof which has an excellent inhibitory effect on EZH1 and/or EZH2 activity. The present invention provides a compound having a 1,3-benzodioxole structure represented by the general formula (I) or a pharmacologically acceptable salt thereof, or a pharmaceutical composition comprising the compound (wherein R1, R2, R3, R4, R5, R6, and V in the formula (I) are each as defined in the present specification).

  本发明提供了一种具有特定化学结构的化合物或其药理学上可接受的盐，该化合物对 EZH1 和/或 EZH2 的活性具有极佳的抑制作用。本发明提供了一种具有通式（I）所代表的 1，3-苯并二恶茂结构的化合物或其药理学上可接受的盐，或包含该化合物的药物组合物（其中式（I）中的 R1、R2、R3、R4、R5、R6 和 V 均如本说明书中所定义）。