2-氟-6-甲氧基苯甲酰胺 | 529512-81-0

• 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-氟-6-甲氧基苯甲酰胺
• 英文名称: 2-Fluoro-6-methoxybenzamide
• CAS: 529512-81-0
• 化学式: C₈H₈FNO₂
• 分子量: 169.155
• InChiKey: BDJNFURQDZEPLK-UHFFFAOYSA-N

物化性质

• 熔点：
  190-194℃

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 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：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi

反应信息

• 作为反应物：
  描述：

  2-氟-6-甲氧基苯甲酰胺 、 异氰酸-9H-芴-2-酯 以 甲苯 为溶剂， 反应 10.0h， 生成 1-(2-fluoro-6-methoxybenzoyl)-3-(9H-fluoren-9-yl)-urea
  参考文献：
  名称：

  Discovering Potent Small Molecule Inhibitors of Cyclophilin A Using de Novo Drug Design Approach

  摘要：

  This work describes an integrated approach of de novo drug design, chemical synthesis, and bioassay for quick identification of a series of novel small molecule cyclophilin A (CypA) inhibitors (1-3). The activities or the two most potent CypA inhibitors (3h and 3i) are 2.59 and 1.52 nM, respectively, which are about 16 and 27 times more potent than that of cyclosporin A. This study clearly demonstrates the power of our de novo drug design strategy and the related program LigBuilder 2.0 in drug discovery.

  DOI：

  10.1021/jm9008295
• 作为产物：
  描述：

  2-氟-6-甲氧基苯腈 在 双氧水 、 potassium carbonate 作用下， 以 二甲基亚砜 为溶剂， 生成 2-氟-6-甲氧基苯甲酰胺
  参考文献：
  名称：

  Discovering Potent Small Molecule Inhibitors of Cyclophilin A Using de Novo Drug Design Approach

  摘要：

  This work describes an integrated approach of de novo drug design, chemical synthesis, and bioassay for quick identification of a series of novel small molecule cyclophilin A (CypA) inhibitors (1-3). The activities or the two most potent CypA inhibitors (3h and 3i) are 2.59 and 1.52 nM, respectively, which are about 16 and 27 times more potent than that of cyclosporin A. This study clearly demonstrates the power of our de novo drug design strategy and the related program LigBuilder 2.0 in drug discovery.

  DOI：

  10.1021/jm9008295

文献信息

• [EN] CYCLOPENTYLBENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PSYCHOTIC AND COGNITIVE DISORDERS<br/>[FR] DÉRIVÉS DE CYCLOPENTYLBENZAMIDE ET LEUR UTILISATION POUR LE TRAITEMENT DE TROUBLES PSYCHOTIQUES OU COGNITIFS
  申请人：TAKEDA CAMBRIDGE LTD

  公开号：WO2015055994A1

  公开（公告）日：2015-04-23

  The present invention provides compounds of formula (I) and pharmaceutically acceptable salts thereof, wherein n, L, X, Ra, Rb, R1, R2 and R3 their preparation, pharmaceutical compositions containing them and their use in therapy.

  本发明提供了式（I）的化合物及其药用盐，其中n，L，X，Ra，Rb，R1，R2和R3，它们的制备，含有它们的药物组合物以及它们在治疗中的用途。
• Hydroxamates as Histone Deacetylase Inhibitors and Pharmaceutical Formulations Containing Them
  申请人：Rossi Cristina

  公开号：US20080207694A1

  公开（公告）日：2008-08-28

  Compounds of structure (I) having histone deacetylase (HDAC) inhibitor activity are described. The compounds are chemically characterised by the presence of hydroxamic acid, with zinc as chelator, and an aromatic nucleus connected by a linker in which either a bicyclic aromatic system or a piperidino ring are present.

  结构（I）的化合物具有组蛋白去乙酰化酶（HDAC）抑制剂活性。这些化合物在化学上特征为存在羟肟酸，锌作为螯合剂，并且通过连接剂连接的芳香核与一个双环芳香系统或哌啶环存在。
• [EN] CYANO-SUBSTITUTED PYRIDINE AND CYANO-SUBSTITUTED PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF<br/>[FR] COMPOSÉ DE PYRIDINE À SUBSTITUTION CYANO ET COMPOSÉ DE PYRIMIDINE À SUBSTITUTION CYANO, PROCÉDÉ DE PRÉPARATION CORRESPONDANT ET UTILISATION ASSOCIÉE<br/>[ZH] 一种氰基取代吡啶及氰基取代嘧啶类化合物、制备方法及其应用
  申请人：BEIJING SCITECH MQ PHARMACEUTICALS LTD

  公开号：WO2019242689A1

  公开（公告）日：2019-12-26

  提供一种式(I)所示化合物、其异构体、水合物、溶剂化物、其药学上可接受的盐及其前药，其制备方法及其在制备作为激酶抑制剂的药物中的应用。该化合物对FGFR4及突变型FGFR4 V550L等激酶均具有良好的抑制活性。
• HYDROXAMATES AS HISTONE DEACETYLASE INHIBITORS AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM
  申请人：Menarini International Operations Luxembourg S.A.

  公开号：EP1868997A1

  公开（公告）日：2007-12-26
• [EN] HYDROXAMATES AS HISTONE DEACETYLASE INHIBITORS AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM<br/>[FR] HYDROXAMATES UTILISES EN TANT QU'INHIBITEURS DE DESACETYLASE D'HISTONES ET FORMULATIONS PHARMACEUTIQUES LES CONTENANT
  申请人：MENARINI INT OPERATIONS LU SA

  公开号：WO2006097460A1

  公开（公告）日：2006-09-21

  [EN] Compounds of structure (I) having histone deacetylase (HDAC) inhibitor activity are described. The compounds are chemically characterised by the presence of hydroxamic acid, with zinc as chelator, and an aromatic nucleus connected by a linker in which either a bicyclic aromatic system or a piperidino ring are present.
  [FR] L'invention concerne des composés ayant la structure (I) ayant une activité d'inhibiteurs d'hystone désacétylase (HDAC). Les composés sont caractérisés chimiquement par la présence d'acide hydroxamique, le zinc étant utilisé comme chélateur, et par un noyau aromatique connecté par un lieur dans lequel est présent soit un système aromatique bicyclique soit un anneau pipéridino.