2,3-二羟基苯基乙酸 | 19988-45-5

• 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: 2,3-二羟基苯基乙酸
• 中文别名: 2,3-二羟基苯乙酸
• 英文名称: 2,3-dihydroxyphenylacetic acid
• 英文别名: (2,3-dihydroxy-phenyl)-acetic acid；(2,3-Dihydroxy-phenyl)-essigsaeure；2,3-Dihydroxyphenylessigsaeure；2-(2,3-Dihydroxyphenyl)acetic acid
• CAS: 19988-45-5
• 化学式: C₈H₈O₄
• 分子量: 168.149
• InChiKey: KEQGFEVKJCGTKB-UHFFFAOYSA-N

物化性质

• 熔点：
  103-104 °C
• 沸点：
  398.3±27.0 °C(Predicted)
• 密度：
  1.478±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 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：

  2,3-二羟基苯基乙酸 、 乙酸酐 在 硫酸 作用下， 生成 7-acetoxy-3H-benzofuran-2-one
  参考文献：
  名称：

  Mosimann; Tambor, Chemische Berichte, 1916, vol. 49, p. 1265

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 sodium carbonate 作用下， 生成 2,3-二羟基苯基乙酸
  参考文献：
  名称：

  Mosimann; Tambor, Chemische Berichte, 1916, vol. 49, p. 1265

  摘要：

  DOI：

文献信息

• [EN] AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS<br/>[FR] DÉRIVÉS AMINOPYRIMIDINIQUES UTILISÉS COMME MODULATEURS DE LRRK2
  申请人：HOFFMANN LA ROCHE

  公开号：WO2013079505A1

  公开（公告）日：2013-06-06

  Compounds of the formula (I): or pharmaceutically acceptable salts thereof, wherein A, X, R1, R2, R3 and R4 are as defined herein. Also disclosed are methods of making the compounds and using the compounds for treatment of diseases associated with LRRK2 receptor, such as Parkinson's disease.

  式(I)的化合物或其药用可接受的盐，其中A、X、R1、R2、R3和R4如本文所定义。还公开了制备这些化合物的方法，并将这些化合物用于治疗与LRRK2受体相关的疾病，如帕金森病。
• [EN] PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2<br/>[FR] PYRAZOLOPYRIDINES COMME INHIBITEURS DE LA KINASE LRRK2
  申请人：MEDICAL RES COUNCIL TECHNOLOGY

  公开号：WO2012038743A1

  公开（公告）日：2012-03-29

  The present invention relates to compounds of formula I, or pharmaceutically acceptable salts or esters thereof, (Formula I) wherein R1 is selected from: aryl; heteroaryl; -NHR3; fused aryl-C4_7-heterocycloalkyl; -CONR4R5; - NHCOR6; -C3-7-cycloalkyl,-NR3R6; -OR3; OH; NR4R5; and alkyl optionally substituted with a substituent selected from R11 and a group A; wherein said aryl, heteroaryl, fused aryl-C4-7-heterocycloalkyl and C4-7- heterocycloalkyi are each optionally substituted with one or more substituents selected from C1-6-alkyl, C3-7-cycloalkyl, heteroaryl, C4-7-heterocycloalkyl, aryl and a group A, and said C1-6-alkyl, C3-7-cycloalkyl, heteroaryl, C4-7-heterocycloalkyl, and aryl substituents are in turn each optionally substituted with one or more groups selected from R11 and a group A; R2 is selected from hydrogen, aryl, C1-6-alkyl, C2-6-alkenyl, C3-7-cycloalkyl, heteroaryl, heterocycloalkyi, fused aryl-C4-7-rheterocycloalkyl and halogen, wherein said C1-6-alkyl, C2-6-alkenyl, aryl, heteroaryl, fused aryl-C4-7-heterocycloalkyl and C4-7-heterocycloalkyl are each optionally substituted with one or more substituents selected from R11 and A. Further aspects relate to pharmaceutical compositions and therapeutic uses of said compounds.

  本发明涉及式I的化合物，或其药学上可接受的盐或酯，其中R1选自：芳基；杂环芳基；-NHR3；融合芳基-C4_7-杂环烷基；-CONR4R5；-NHCOR6；-C3-7-环烷基，-NR3R6；-OR3；OH；NR4R5；和烷基，可选择地被来自R11和A组的取代基取代；其中所述的芳基，杂环芳基，融合芳基-C4-7-杂环烷基和C4-7-杂环烷基可分别被来自C1-6-烷基，C3-7-环烷基，杂环芳基，C4-7-杂环烷基，芳基和A组的一个或多个取代基取代，而所述的C1-6-烷基，C3-7-环烷基，杂环芳基，C4-7-杂环烷基和芳基取代基又可分别被来自R11和A组的一个或多个基团取代；R2选自氢，芳基，C1-6-烷基，C2-6-烯基，C3-7-环烷基，杂环芳基，杂环烷基，融合芳基-C4-7-杂环烷基和卤素，其中所述的C1-6-烷基，C2-6-烯基，芳基，杂环芳基，融合芳基-C4-7-杂环烷基和C4-7-杂环烷基可分别被来自R11和A的一个或多个取代基取代。进一步方面涉及所述化合物的药物组合物和治疗用途。
• [EN] INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS<br/>[FR] INHIBITEURS DE CATÉCHOL O-MÉTHYL TRANSFÉRASE ET UTILISATION ASSOCIÉE DANS LE TRAITEMENT DE TROUBLES PSYCHOTIQUES
  申请人：MERCK SHARP & DOHME

  公开号：WO2011109267A1

  公开（公告）日：2011-09-09

  The present invention relates to 4-pyridinone compounds which are inhibitors of catechol O-methyltransferase (COMT), and are useful in the treatment and prevention of neurological and psychiatric disorders and diseases in which COMT enzyme is involved. The present invention also relates to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which COMT is involved.

  本发明涉及4-吡啶酮化合物，它们是儿茶酚-O-甲基转移酶(COMT)的抑制剂，并且在治疗和预防涉及COMT酶的神经和精神障碍和疾病方面具有用处。本发明还涉及包含这些化合物的药物组合物以及在预防或治疗涉及COMT的这类疾病中使用这些化合物和组合物。
• [EN] 2-(PHENYL OR PYRID-3-YL) AMINOPYRIMIDINE DERIVATIVES AS KINASE LRRK2 MODULATORS FOR THE TREATMENT OF PARKINSON'S DISEASE<br/>[FR] DÉRIVÉS 2-(PHÉNYL OU PYRID-3-YL)AMINOPYRIMIDINES EN TANT QUE MODULATEURS DE LA KINASE LRRK2 POUR LE TRAITEMENT DE LA MALADIE DE PARKINSON
  申请人：HOFFMANN LA ROCHE

  公开号：WO2013079495A1

  公开（公告）日：2013-06-06

  Compounds of the formula (I), or pharmaceutically acceptable salts thereof, wherein m, n. X, R1, R2, R3, R4 and R5 are as defined herein. Also disclosed are methods of making the compounds and using the compounds for treatment of diseases associated with LRRK2 receptor, such as Parkinson's disease.

  化合物的结构式（I），或其药用盐，其中m、n、X、R1、R2、R3、R4和R5的定义如本文所述。还公开了制备这些化合物的方法，并将这些化合物用于治疗与LRRK2受体相关的疾病，如帕金森病。
• Bismuth-containing compounds, coordination polymers, methods for modulating pharmacokinetic properties of biologically active agents, and methods for treating patients
  申请人：Price John D.

  公开号：US10150792B2

  公开（公告）日：2018-12-11

  Bismuth-containing compounds include bismuth and a biologically active agent coordinated to the bismuth. The biologically active agent includes at least one heteroatom configured for coordination with the bismuth. Coordination polymers include a polymer matrix that contains a bismuth-containing compound. Methods for modulating a pharmacokinetic property of a biologically active agent include coordinating the biologically active agent to bismuth to form a bismuth-containing compound, and administering the bismuth-containing compound orally to a patient. Methods for treating Parkinson's disease, methods for treating hypothyroidism, methods for treating ulcerative colitis, and methods for treating cancer each include administering a bismuth-containing compound to a patient.

  含铋化合物包括铋和与铋配位的生物活性剂。生物活性剂包括至少一个用于与铋配位的杂原子。配位聚合物包括包含含铋化合物的聚合物基质。调节生物活性剂的药代动力学特性的方法包括将生物活性剂与铋配位形成含铋化合物，并将含铋化合物口服给患者。治疗帕金森病的方法，治疗甲状腺功能减退症的方法，治疗溃疡性结肠炎的方法，以及治疗癌症的方法各自包括向患者口服含铋化合物。