3-[5-cyano-4-(4-methoxy-phenyl)-thiazol-2-ylmethoxy]-2,6-difluoro-benzamide

• 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: 3-[5-cyano-4-(4-methoxy-phenyl)-thiazol-2-ylmethoxy]-2,6-difluoro-benzamide
• 英文别名: 3-[[5-cyano-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide
• 化学式: C₁₉H₁₃F₂N₃O₃S
• 分子量: 401.393
• InChiKey: FBIYTHVQEYOBOH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  127
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-(4-甲氧基苯基)-2-甲基噻唑 在 N-溴代丁二酰亚胺(NBS) 、 potassium carbonate 作用下， 以 吡啶 、 四氯化碳 、 N,N-二甲基甲酰胺 为溶剂， 反应 28.0h， 生成 3-[5-cyano-4-(4-methoxy-phenyl)-thiazol-2-ylmethoxy]-2,6-difluoro-benzamide
  参考文献：
  名称：

  WO2007/107758

  摘要：

  公开号：

文献信息

• Antibacterial agents
  申请人：Biots Scientific Management Pty Ltd

  公开号：US08088791B2

  公开（公告）日：2012-01-03

  Compounds of formula (I) have antibacterial activity: wherein R represents hydrogen or 1, 2 or 3 optional substituents; W is ═C(R1)— or ═N—; R1 is hydrogen or an optional substituent and R2 is hydrogen, methyl, or fluorine; or R1 and R2 taken together are —CH2—, —CH2CH2—, —O—, or, in either orientation, —O—CH2— or —OCH2CH2—; R3 is a radical of formula -(Alk1)m-(Z)p-(Alk2)n-Q wherein m, p and n are independently 0 or 1, provided that at least one of m, p and n is 1, Z is —O—, —S—, —S(O)—, —S(O2)—, —NH—, —N(CH3)—, —N(CH2CH3)—, —C(═O)—, —O—(C═O)—, —C(═O)—O—, or an optionally substituted divalent monocyclic carbocyclic or heterocyclic radical having 3 to 6 ring atoms; or an optionally substituted divalent bicyclic heterocyclic radical having 5 to 10 ring atoms; Alk1 and Alk2 are optionally substituted C1-C6 alkylene, C2-C6 alkenylene, or C2-C6 alkynylene radicals, which may optionally terminate with or be interrupted by —O—, —S—, —S(O)—, —S(O2)—, —NH—, —N(CH3)—, or —N(CH2CH3)—; and Q is hydrogen, halogen, nitrile, or hydroxyl or an optionally substituted monocyclic carbocyclic or heterocyclic radical having 3 to 6 ring atoms; or an optionally substituted bicyclic heterocyclic radical having 5 to 10 ring atoms.

  式(I)的化合物具有抗菌活性： 其中R代表氢或1、2或3个可选取代基团；W为═C(R1)—或═N—；R1为氢或可选取代基团，R2为氢、甲基或氟；或R1和R2共同为—CH2—、—CH2CH2—、—O—或，在任一方向上，为—O—CH2—或—OCH2CH2—；R3为式-(Alk1)m-(Z)p-(Alk2)n-Q的基团，其中m、p和n独立地为0或1，但至少有一个为1，Z为—O—、—S—、—S(O)—、—S(O2)—、—NH—、—N(CH3)—、—N(CH2CH3)—、—C(═O)—、—O—(C═O)—、—C(═O)—O—或具有3至6个环原子的可选取代的单环芳环或杂环基团；或具有5至10个环原子的可选取代的双环杂环基团；Alk1和Alk2为可选取代的C1-C6烷基、C2-C6烯基或C2-C6炔基基团，可以选择以或被—O—、—S—、—S(O)—、—S(O2)—、—NH—、—N(CH3)—或—N(CH2CH3)—终止或中断；Q为氢、卤素、腈或羟基或具有3至6个环原子的可选取代的单环芳环或杂环基团；或具有5至10个环原子的可选取代的双环杂环基团。
• ANTIBACTERIAL AGENTS
  申请人：Brown David Ryall

  公开号：US20100173933A1

  公开（公告）日：2010-07-08

  Compounds of formula (I) have antibacterial activity: wherein R represents hydrogen or 1, 2 or 3 optional substituents; W is ═C(R 1 )— or ═N—; R 1 is hydrogen or an optional substituent and R 2 is hydrogen, methyl, or fluorine; or R 1 and R 2 taken together are —CH 2 —, —CH 2 CH 2 —, —O—, or, in either orientation, —O—CH 2 — or —OCH 2 CH 2 —; R 3 is a radical of formula -(Alk 1 ) m -(Z) p -(Alk 2 ) n -Q wherein m, p and n are independently 0 or 1, provided that at least one of m, p and n is 1, Z is —O—, —S—, —S(O)—, —S(O 2 )—, —NH—, —N(CH 3 )—, —N(CH 2 CH 3 )—, —C(═O)—, —O—(C═O)—, —C(═O)—O—, or an optionally substituted divalent monocyclic carbocyclic or heterocyclic radical having 3 to 6 ring atoms; or an optionally substituted divalent bicyclic heterocyclic radical having 5 to 10 ring atoms; Alk 1 and Alk 2 are optionally substituted C 1 -C 6 alkylene, C 2 -C 6 alkenylene, or C 2 -C 6 alkynylene radicals, which may optionally terminate with or be interrupted by —O—, —S—, —S(O)—, —S(O 2 )—, —NH—, —N(CH 3 )—, or —N(CH 2 CH 3 )—; and Q is hydrogen, halogen, nitrile, or hydroxyl or an optionally substituted monocyclic carbocyclic or heterocyclic radical having 3 to 6 ring atoms; or an optionally substituted bicyclic heterocyclic radical having 5 to 10 ring atoms.

  化学式为（I）的化合物具有抗菌活性：其中R代表氢或1、2或3个可选取代基；W是═C（R1）-或═N-；R1是氢或可选取代基，R2是氢、甲基或氟；或R1和R2一起取-CH2-、-CH2CH2-、-O-，或者，在任何方向上，取-O-CH2-或-OCH2CH2-；R3是公式-(Alk1)m-(Z)p-(Alk2)n-Q的基团，其中m、p和n独立地为0或1，但至少有一个为1，Z是-O-、-S-、-S（O）-、-S（O2）-、-NH-、-N（CH3）-、-N（CH2CH3）-、-C（═O）-、-O-（C═O）-、-C（═O）-O-，或具有3至6个环原子的可选取代的单环碳环或杂环基团；或具有5至10个环原子的可选取代双环杂环基团；Alk1和Alk2是可选取代的C1-C6烷基、C2-C6烯基或C2-C6炔基基团，可以以-O-、-S-、-S（O）-、-S（O2）-、-NH-、-N（CH3）-或-N（CH2CH3）-结尾或被中断；Q是氢、卤素、腈或羟基，或具有3至6个环原子的可选取代的单环碳环或杂环基团；或具有5至10个环原子的可选取代的双环杂环基团。
• BENZAMIDE AND PYRIDYLAMIDE DERIVATIVES AS ANTIBACTERIAL AGENTS
  申请人：Biota Europe Ltd

  公开号：EP1996180B1

  公开（公告）日：2011-08-03
• US8088791B2
  申请人：——

  公开号：US8088791B2

  公开（公告）日：2012-01-03
• US8865736B2
  申请人：——

  公开号：US8865736B2

  公开（公告）日：2014-10-21