2-chloro-6-fluoro-N-(5-(2-methyl-5-(pyridin-3-yl)phenyl)pyridin-2-yl)benzamide | 1113042-59-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-chloro-6-fluoro-N-(5-(2-methyl-5-(pyridin-3-yl)phenyl)pyridin-2-yl)benzamide
• 英文别名: 2-chloro-6-fluoro-N-[5-(2-methyl-5-pyridin-3-ylphenyl)pyridin-2-yl]benzamide
• CAS: 1113042-59-3
• 化学式: C₂₄H₁₇ClFN₃O
• 分子量: 417.87
• InChiKey: OMFVKCGPMPBHSJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  54.9
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• FUSED RING PYRIMIDINE COMPOUND, INTERMEDIATE, AND PREPARATION METHOD, COMPOSITION AND USE THEREOF
  申请人：GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD.

  公开号：US20180208604A1

  公开（公告）日：2018-07-26

  Disclosed area fused ring pyrimidine compound, and an intermediate, a preparation method, a composition and a use thereof. The fused ring pyrimidine compound is a compound as shown in formula I, a tautomer, an enantiomer, a diastereoisomer, a pharmaceutically acceptable salt, a metabolite, a metabolic precursor or a prodrug thereof, wherein the above-mentioned compound is used for the preparation of a medicine for preventing, remitting or treating one or more of immune system diseases, autoimmune diseases, cell proliferative diseases, allergic disorders and cardiovascular diseases, and the compound has a strong inhibitory effect on the Janues kinase, FGFR kinase, FLT3 kinase and Src family kinase.

  揭示的区域融合环嘧啶化合物，以及中间体、制备方法、组合物及其用途。融合环嘧啶化合物是如下式I所示的化合物，其为互变异构体、对映异构体、顺反异构体、药学上可接受的盐、代谢物、代谢前体或其前药，上述化合物用于制备用于预防、缓解或治疗免疫系统疾病、自身免疫疾病、细胞增殖性疾病、过敏性疾病和心血管疾病中的一种或多种的药物，且该化合物对Janues激酶、FGFR激酶、FLT3激酶和Src家族激酶具有强烈的抑制作用。
• [EN] PROCESS FOR THE PREPARATION OF PHENYL SUBSTITUTED 3 - DIFLUOROMETHYL - 1 -METHYL - 1H - PYRAZOLE - 4 - CARBOXYLIC N-METHOXY- [1 -METHYL- 2 - PHENYLETHYL] AMIDES<br/>[FR] PROCÉDÉ DE PRÉPARATION DE N-MÉTHOXY-[1-MÉTHYL-2-PHÉNYLÉTHYL]AMIDES DE L'ACIDE 3-DIFLUOROMÉTHYL-1-MÉTHYL-1H-PYRAZOLE-4-CARBOXYLIQUE SUBSTITUÉS SUR PHÉNYLE
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2013127764A1

  公开（公告）日：2013-09-06

  The invention relates to a process for the preparation of a compound of formula (I), wherein R1, R2 and R3 are as defined in claim 1, which process comprises a) adding a compound of formula (II), in the presence of an inert organic solvent to a mixture comprising an organic nitrite of formula (III) (R4-O-N=O (III)), wherein R4 is C1-C8alkyl, a compound of formula (IV), and an inert organic solvent; b) reacting the resulting compound of formula (V), with H2N-O-CH3 to the compound of formula (VII), c) reducing the compound of formula (VII) to the compound of formula (VIII), d) and reacting the compound of formula VIII with a compound of formula (IX), in which R* is halogen, hydroxy or C1-6 alkoxy, to the compound of formula (I).

  本发明涉及一种制备公式（I）化合物的方法，其中R1、R2和R3如权利要求1中定义，该方法包括：a）在存在惰性有机溶剂的情况下，向包含公式（III）有机亚硝酸盐（R4-O-N=O（III））的混合物中加入公式（II）化合物，其中R4为C1-C8烷基，公式（IV）化合物和惰性有机溶剂；b）将得到的公式（V）化合物与H2N-O-CH3反应得到公式（VII）化合物；c）将公式（VII）化合物还原为公式（VIII）化合物；d）将公式（VIII）化合物与公式（IX）化合物反应，其中R*为卤素，羟基或C1-6烷氧基，得到公式（I）化合物。
• [EN] PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES<br/>[FR] COMPOSÉS PYRIDINE UTILISÉS POUR DES ÉTATS INFLAMMATOIRES ET DES TROUBLES IMMUNITAIRES
  申请人：SYNTA PHARMACEUTICALS CORP

  公开号：WO2009017819A1

  公开（公告）日：2009-02-05

  The invention relates to compounds that are useful as immunosuppressive agents and for treating and preventing inflammatory conditions, allergic disorders, and immune disorders.

  这项发明涉及一类可用作免疫抑制剂、用于治疗和预防炎症性疾病、过敏性疾病和免疫性疾病的化合物。
• PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES
  申请人：Chen Shoujun

  公开号：US20120064121A1

  公开（公告）日：2012-03-15

  The invention relates to compounds that are useful as immunosuppressive agents and for treating and preventing inflammatory conditions, allergic disorders, and immune disorders.

  这项发明涉及一类可用作免疫抑制剂以及用于治疗和预防炎症性疾病、过敏性疾病和免疫性疾病的化合物。
• PROCESS FOR THE PRODUCTION OF AMIDES
  申请人：Tobler Hans

  公开号：US20120065239A1

  公开（公告）日：2012-03-15

  The present invention relates to a process for the preparation of compounds of formula I wherein R 1 and R 2 are each independently of the other hydrogen or C 1 -C 5 alkyl and R 3 is CF 3 or CF 2 H, by a) reaction of a compound of formula II wherein R 1 and R 2 are as defined for formula I, with at least one reducing agent to form a compound of formula wherein R 1 and R 2 are as defined for formula I, and b) reaction of that compound with at least one reducing agent to form a compound of formula IV wherein R 1 and R 2 are as defined for formula I, and (c) reaction of that compound with a compound of formula V wherein Q is chlorine, fluorine, bromine, iodine, hydroxy or C 1 -C 6 alkoxy and R 3 is as defined for formula I, to form the compound of formula I; and to novel intermediates for use in that process.

  本发明涉及一种制备式I化合物的方法，其中R1和R2分别独立地为氢或C1-C5烷基，R3为CF3或CF2H，包括以下步骤： a）将式II化合物与至少一种还原剂反应，形成式III化合物，其中R1和R2如式I所定义； b）将该化合物与至少一种还原剂反应，形成式IV化合物，其中R1和R2如式I所定义； c）将该化合物与式V化合物反应，其中Q为氯、氟、溴、碘、羟基或C1-C6烷氧基，R3如式I所定义，形成式I化合物； 本发明还涉及用于该过程的新型中间体。