2-氨基-5-氟-3-甲氧基苯甲酸 | 1250810-28-6

• 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-氨基-5-氟-3-甲氧基苯甲酸
• 英文名称: 2-amino-5-fluoro-3-methoxybenzoic acid
• 英文别名: 2-Amino-5-fluoro-3-methoxy-benzoic acid
• CAS: 1250810-28-6
• 化学式: C₈H₈FNO₃
• mdl: MFCD14683484
• 分子量: 185.155
• InChiKey: WCQCRQDEAFXOES-UHFFFAOYSA-N

物化性质

• 沸点：
  322.9±42.0 °C(Predicted)
• 密度：
  1.397±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  72.6
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  2-氨基-5-氟-3-甲氧基苯甲酸 在 正丁基锂 作用下， 以 四氢呋喃 、 甲醇 、 benzine 、 正己烷 为溶剂， 反应 2.5h， 生成 6-fluoro-8-methoxy-4-oxo-1H-quinoline-3-carbonitrile
  参考文献：
  名称：

  Discovery of VU6027459: A First-in-Class Selective and CNS Penetrant mGlu₇ Positive Allosteric Modulator Tool Compound

  摘要：

  Herein, we report the discovery of the first selective and CNS penetrant mGlu(7) PAM (VU6027459) derived from a "molecular switch" within a selective mGlu(7) NAM chemotype. VU6027459 displayed CNS penetration in both mice (K-p = 2.74) and rats (K-p = 4.78), it was orally bioavailable in rats (%F = 69.5), and undesired activity at DAT was ablated.

  DOI：

  10.1021/acsmedchemlett.0c00432

文献信息

• [EN] 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE<br/>[FR] DÉRIVÉS AMINO TRIAZOLO QUINAZOLINE 9-SUBSTITUÉS UTILES EN TANT QU'ANTAGONISTES DU RÉCEPTEUR DE L'ADÉNOSINE, COMPOSITIONS PHARMACEUTIQUES ET LEUR UTILISATION
  申请人：MERCK SHARP & DOHME

  公开号：WO2020112700A1

  公开（公告）日：2020-06-04

  In its many embodiments, the present invention provides certain 9-substituted amino triazolo quinazoline compounds of the structural Formula (I): (I), and pharmaceutically acceptable salts thereof, wherein, ring A, R1 and R2 are as defined herein, pharmaceutical compositions comprising one or more such compounds (alone and in combination with one or more other therapeutically active agents), and methods for their preparation and use, alone and in combination with other therapeutic agents, as antagonists of A2a and/or A2b receptors, and in the treatment of a variety of diseases, conditions, or disorders that are mediated, at least in part, by the adenosine A2a receptor and/or the adenosine A2b receptor.

  在其多种实施方式中，本发明提供了具有结构式（I）的某些9-取代氨基三唑喹唑啉化合物（I），以及其药学上可接受的盐，其中，环A，R1和R2如本文所定义，包括一种或多种这样的化合物的药物组合物（单独和与一种或多种其他治疗活性剂的组合），以及其制备和使用的方法，单独和与其他治疗剂的组合，作为A2a和/或A2b受体的拮抗剂，并用于治疗由腺苷A2a受体和/或腺苷A2b受体至少部分介导的各种疾病、病况或紊乱。
• [EN] 7-, 8-, and 10-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE<br/>[FR] DÉRIVÉS D'AMINO TRIAZOLO QUINAZOLINE À SUBSTITUTION EN POSITIONS 7, 8 ET 10 UTILISÉS EN TANT QU'ANTAGONISTES DU RÉCEPTEUR DE L'ADÉNOSINE, COMPOSITIONS PHARMACEUTIQUES ET LEUR UTILISATION
  申请人：MERCK SHARP & DOHME

  公开号：WO2020112706A1

  公开（公告）日：2020-06-04

  In its many embodiments, the present invention provides certain 7-, 8-, and 10-substituted amino triazolo quinazoline derivatives of Formula (I): or a pharmaceutically acceptable salt thereof, wherein ring A, R1, R2, and R4 are as defined herein, pharmaceutical compositions comprising one or more such compounds (alone and in combination with one or more other therapeutic agents), and methods for their preparation and use, alone and in combination with other therapeutic agents, as antagonists of A2a and/or A2b receptors, and their use in the treatment of a variety of diseases, conditions, or disorders that are mediated, at least in part, by the adenosine A2a receptor and/or the adenosine A2b receptor.

  在其多种实施方式中，本发明提供了某些7-、8-和10-取代氨基三唑喹唑啉衍生物的化合物（I）的制备方法和用途，或其药学上可接受的盐，其中环A、R1、R2和R4如本文所定义，包括一种或多种这样的化合物的药物组合物（单独使用和与一种或多种其他治疗剂联合使用），以及其制备和用途的方法，单独使用和与其他治疗剂联合使用，作为A2a和/或A2b受体的拮抗剂，并且它们在治疗由腺苷A2a受体和/或腺苷A2b受体至少部分介导的各种疾病、症状或紊乱中的用途。
• [EN] PIPERAZINE-SUBSTITUTED 7-METHOXY-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES<br/>[FR] COMPOSÉS DE 7-MÉTHOXY-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLINE-5-AMINE À SUBSTITUTION PIPÉRAZINE PRÉSENTANT DES PROPRIÉTÉS D'ANTAGONISTE D'A2A
  申请人：MERCK SHARP & DOHME

  公开号：WO2014101113A1

  公开（公告）日：2014-07-03

  Disclosed are compounds of Formula (A), as defined herein, which have binding activity for an A2A-receptor and are believed to be useful for treatment or management of CNS diseases or conditions which can be treated or managed using compounds which have A2A receptor antagonist activity.

  本公开的是本文所定义的Formula (A)的化合物，它们具有与A2A受体的结合活性，并被认为对于治疗或管理可以使用具有A2A受体拮抗活性的化合物来治疗或管理的中枢神经系统疾病或疾况是有用的。
• [EN] PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES<br/>[FR] COMPOSÉS [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES À SUBSTITUTION PAR PIPÉRAZINE AYANT DES PROPRIÉTÉS D'ANTAGONISTES DU RÉCEPTEUR A2A
  申请人：MERCK SHARP & DOHME

  公开号：WO2014105664A1

  公开（公告）日：2014-07-03

  Disclosed are compounds of Formula A: (structurally represented) where "RG1", "RG2a", "RG4", "RG5", "MG1", "n" and "m" are defined herein which compounds are antagonists of A2A receptor. Disclosed herein also are uses of the compounds described herein as antagonists of the A2a receptor in the potential treatment or prevention of neurological disorders and diseases in which A2A receptors are involved. Disclosed herein also are pharmaceutical compositions comprising these compounds and uses of these pharmaceutical compositions.

  公开的是Formula A的化合物：(结构表示)，其中"RG1"，"RG2a"，"RG4"，"RG5"，"MG1"，"n"和"m"在此处被定义为A2A受体的拮抗剂。本文还公开了所述化合物作为A2a受体拮抗剂在潜在治疗或预防A2A受体参与的神经疾病和疾病中的用途。本文还公开了包含这些化合物的药物组合物以及这些药物组合物的用途。
• [EN] ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS D'ECTONUCLÉOTIDE PYROPHOSPHATASE-PHOSPHODIESTÉRASE 1 (ENPP1) ET LEURS UTILISATIONS
  申请人：INTEGRAL BIOSCIENCES PRIVATE LTD

  公开号：WO2022091048A1

  公开（公告）日：2022-05-05

  The present invention discloses compounds useful in treatment of conditions associated with dysfunction of ectonucleotide pyrophosphatase / phosphodiesterase-1 (ENPP1) enzyme. Specifically, the present invention discloses compound of formula (J) which exhibit inhibitory activity against ENPP1. Method of treating conditions associated with over-expression of ENPP1 gene with such compound is disclosed. Uses thereof, pharmaceutical composition, and kits are also disclosed.

  本发明揭示了在治疗与外核苷酸焦磷酸酶/磷酸二酯酶-1 (ENPP1)酶功能障碍相关的疾病中有用的化合物。具体而言，本发明揭示了公式（J）的化合物，这些化合物表现出对ENPP1的抑制活性。揭示了使用这种化合物治疗与ENPP1基因过度表达相关的疾病的方法。还揭示了其用途、制药组合物和试剂盒。