5'-(cyclopropanecarbonyl-amino)-2'-trifluoromethoxy-biphenyl-4-carboxylic acid {4-[4-(propane-1-sulfonyl)-piperazin-1-ylmethyl]-phenyl}amide | 929890-64-2

• 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: 5'-(cyclopropanecarbonyl-amino)-2'-trifluoromethoxy-biphenyl-4-carboxylic acid {4-[4-(propane-1-sulfonyl)-piperazin-1-ylmethyl]-phenyl}amide
• 英文别名: 4-[5-(cyclopropanecarbonylamino)-2-(trifluoromethoxy)phenyl]-N-[4-[(4-propylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide
• CAS: 929890-64-2
• 化学式: C₃₂H₃₅F₃N₄O₅S
• 分子量: 644.715
• InChiKey: MAQDQJWCSSCURR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  45
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  116
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  5'-amino-2'-trifluoromethoxy-biphenyl-4-carboxylic acid {4-[4-(propane-1-sulfonyl)-piperazin-1-ylmethyl]-phenyl}-amide 、 环己甲酰氯 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 生成 5'-(cyclopropanecarbonyl-amino)-2'-trifluoromethoxy-biphenyl-4-carboxylic acid {4-[4-(propane-1-sulfonyl)-piperazin-1-ylmethyl]-phenyl}amide
  参考文献：
  名称：

  WO2007/31791

  摘要：

  公开号：

文献信息

• [EN] BENZODIAZEPINE DERIVATIVES FOR TREATING HEPATITIS C INFECTION<br/>[FR] DÉRIVÉS DE BENZODIAZÉPINE POUR LE TRAITEMENT D'UNE INFECTION DE TYPE HÉPATITE C
  申请人：ARROW THERAPEUTICS LTD

  公开号：WO2011027156A1

  公开（公告）日：2011-03-10

  The invention concerns benzodiazepine derivatives of Formula (I) wherein W, X, L1, L2, L3, R1, R2, R3, R4, R5, R6 and R7 are as defined in the description. The present invention also relates to processes for the preparation of such compounds, pharmaceutical compositions containing them and their use in the treatment or prophylaxis of hepatitis C virus infection.

  该发明涉及式（I）的苯二氮䓬类衍生物，其中W、X、L1、L2、L3、R1、R2、R3、R4、R5、R6和R7如描述中定义。本发明还涉及制备这类化合物的方法、含有它们的药物组合物以及它们在治疗或预防丙型肝炎病毒感染中的用途。
• Biphenyl Derivatives and Their Use in Treating Hepatitis C
  申请人：Wheelhouse Christopher James

  公开号：US20080255105A1

  公开（公告）日：2008-10-16

  A compound which is a biphenyl derivative of formula (I), or a pharmaceutically acceptable salt thereof wherein: R 1 is a C 1 -C 6 alkyl group or a moiety -A 1 , -L 1 -A 1 , -A 1 -A 1 ′, -L 1 -A 1 -A 1 ′, -A 1 -L 1 -A 1 ′, -A 1 -Y 1 -A 1 ′, -A 1 -Het 1 -A 1 ′, -L 1 -A 1 -Y 1 -A 1 ′, -L 1 -A 1 -Het 1 -A 1 ′, -L 1 -Het 1 -A 1 , -L 1 -Y 1 -A 1 , -L 1 -Y 1 -Het 1 -A 1 , -L 1 -Het 1 -Y 1 -A 1 , -L 1 -Y 1 -Het 1 -L 1 ′, -A 1 -Y 1 -Het 1 -A 1 ′, -A 1 -Het 1 -Y 1 -A 1 ′, -A 1 -Het 1 -L 1 -A 1 ′, -A 1 -L 1 -Het 1 -A 1 ′ or -L 1 -Het 1 -L 1 ′; -A and B are the same or different and each represent a direct bond or a —CO—NR′—, —NR′—CO—, —NR′—CO 2 —, —CO—, —NR′—CO—NR″—, —NR′—S(O) 2 —, —S(O) 2 —NR′—, —SO 2 —, —NR′—, —NR′—CO—CO—, —CO—O—, —O—CO—, —(C 1 -C 2 alkylene)-NR′— or —(C 1 -C 2 hydroxyalkylene)-NR′-moiety, wherein R′ and R″ are the same or different and each represent hydrogen or C 1 -C 4 alkyl; —R 2 and R 3 are the same or different and each represent C 1 -C 4 alkyl, C 1 -C 4 alkoxy, C 1 -C 4 haloalkyl, C 1 -C 4 haloalkoxy or halogen; n and m are the same or different and each represent 0 or 1; R 4 is a C 1 -C 6 alkyl group or a moiety -A 4 , -L 4 -A 4 , -A 4 -A 4 ′, -L 4 -A 4 -A 4 ′, -A 4 -L 4 -A 4 ′, -A 4 -Y 4 -A 4 ′, -A 4 -Het 4 -A 4 ′, -L 4 -A 4 -Y 4 -A 4 ′, -L 4 -A 4 -Het 4 -A 4 ′, -L 4 -Het 4 -A 4 , -L 4 -Y 4 -A 4 , -L 4 -Y 4 -Het 4 -A 4 , -L 4 -Het 4 -Y 4 -A 4 , -L 4 -Y 4 -Het 4 -L 4 ′, -A 4 -Y 4 -Het 4 -A 4 ′, -A 4 -Het 4 -Y 4 -A 4 ′, -A 4 -Het 4 -L 4 -A 4 ′, -A 4 -L 4 -Het 4 -A 4 ′ or -L 4 -Het 4 -L 4 ′, each A 1 , A 4 , A 1 ′ and A 4 ′ are the same or different and represent a phenyl, 5- to 10-membered heteroaryl, 5- to 10-membered heterocyclyl or C 3 -C 8 carbocyclyl moiety; each L 1 and L 4 is the same or different and represents a C 1 -C 4 alkylene or a C 1 -C 4 hydroxyalkylene group; each Y 1 and Y 4 is the same or different and represents —CO—, —SO— or —S(O) 2 —; each L 1 ′ and L 4 ′ is the same or different and represents hydrogen or a C 1 -C 4 alkyl group; and each Het 1 and Het 4 is the same or different and represents —O—, —S— or —NR′—, wherein R′ is hydrogen or a C 1 -C 4 alkyl group, the phenyl, heteroaryl, heterocyclyl and carbocyclyl moieties in R 1 and R 4 being optionally fused to a phenyl, 5- to 10-membered heteroaryl or 5- to 10-membered heterocyclyl ring; and the phenyl, heteroaryl, heterocyclyl and carbocyclyl moieties in R 1 and R 4 being unsubstituted or substituted by (a) a single unsubstituted substituent selected from —(C 1 -C 4 alkyl)-X 1 , —CO 2 R′, —SO 2 NR′R″, —S(O) 2 —R′, —CONR′R″, —NR′—CO—R′″, —NR′—S(O) 2 —R′″, —CO—NR′—(C 1 -C 4 alkyl)-NR′R″ and —CO—O—(C 1 -C 4 alkyl)-NR′R″ and/or (b) 1, 2 or 3 unsubstituted substituents selected from —(C 1 -C 4 alkyl)-X 2 , halogen, C 1 -C 4 alkyl, C 1 -C 4 alkoxy, C 1 -C 4 haloalkyl, C 1 -C 4 haloalkoxy, C 1 -C 4 hydroxyalkyl, hydroxy, cyano, nitro and —NR′R″, wherein X 1 is —CO 2 R′, —SO 2 —R′, —NR′—CO 2 —R″, —NR′—S(O) 2 —R′″, —CONR′R″ or —SO 2 —NR′R″, each X 2 is the same or different and is cyano, nitro or —NR′R″, each R′ and R″ is the same or different and represents hydrogen or C 1 -C 4 alkyl and each R′″ is the same or different and represents C 1 -C 4 alkyl.

  化合物是公式（I）的二苯基衍生物，或其药学上可接受的盐，其中：R1是C1-C6烷基或基-A1，-L1-A1，-A1-A1'，-L1-A1-A1'，-A1-L1-A1'，-A1-Y1-A1'，-A1-Het1-A1'，-L1-A1-Y1-A1'，-L1-A1-Het1-A1'，-L1-Het1-A1，-L1-Y1-A1，-L1-Y1-Het1-A1，-L1-Het1-Y1-A1，-L1-Y1-Het1-L1'，-A1-Y1-Het1-A1'，-A1-Het1-Y1-A1'，-A1-Het1-L1-A1'，-A1-L1-Het1-A1'或-L1-Het1-L1'的基团；A和B相同或不同，每个代表直接键或-CO-NR'，-NR'-CO，-NR'-CO2，-CO，-NR'-CO-NR"，-NR'-S（O）2，-S（O）2-NR'，-SO2，-NR'，-NR'-CO-CO-，-CO-O-，-O-CO-，-（C1-C2烷基）-NR'或-（C1-C2羟基烷基）-NR'基团，其中R'和R"相同或不同，每个代表氢或C1-C4烷基；-R2和R3相同或不同，每个代表C1-C4烷基，C1-C4烷氧基，C1-C4卤代烷基，C1-C4卤代烷氧基或卤素；n和m相同或不同，每个代表0或1；R4是C1-C6烷基或基-A4，-L4-A4，-A4-A4'，-L4-A4-A4'，-A4-L4-A4'，-A4-Y4-A4'，-A4-Het4-A4'，-L4-A4-Y4-A4'，-L4-A4-Het4-A4'，-L4-Het4-A4，-L4-Y4-A4，-L4-Y4-Het4-A4，-L4-Het4-Y4-A4，-L4-Y4-Het4-L4'，-A4-Y4-Het4-A4'，-A4-Het4-Y4-A4'，-A4-Het4-L4-A4'，-A4-L4-Het4-A4'或-L4-Het4-L4'，每个A1，A4，A1'和A4'相同或不同，代表苯基，5-至10-成员杂芳基，5-至10-成员杂环基或C3-C8碳环基基团；每个L1和L4相同或不同，代表C1-C4烷基或C1-C4羟基烷基基团；每个Y1和Y4相同或不同，代表-CO-，-SO-或-S（O）2-；每个L1'和L4'相同或不同，代表氢或C1-C4烷基基团；每个Het1和Het4相同或不同，代表-O-，-S-或-NR'-，其中R'是氢或C1-C4烷基，R1和R4中的苯基，杂芳基，杂环基和碳环基基团可以选择地与苯基，5-至10-成员杂芳基或5-至10-成员杂环基环融合；R1和R4中的苯基，杂芳基，杂环基和碳环基基团可以未经取代或经过（a）单个未取代的取代基的取代，所选的取代基为-（C1-C4烷基）-X1，- R'，-SO2NR'R"，-S（O）2-R'，-CONR'R"，-NR'-CO-R'"，-NR'-S（O）2-R'"，-CO-NR'（C1-C4烷基）-NR'R"和-CO-O-（C1-C4烷基）-NR'R"和/或（b）1,2或3个未取代的取代基，所选的取代基为-（C1-C4烷基）-X2，卤素，C1-C4烷基，C1-C4烷氧基，C1-C4卤代烷基，C1-C4卤代烷氧基，C1-C4羟基烷基，羟基，氰基，硝基和-NR'R"，其中X1为- R'，-SO2-R'，-NR'- -R"，-NR'-S（O）2-R'"，-CONR'R"或-SO2-NR'R"，每个X2相同或不同，为氰基，硝基或-NR'R"，每个R'和R"相同或不同，代表氢或C1-C4烷基，每个R'"相同或不同，代表C1-C4烷基。
• Biphenyl derivatives and their use in treating hepatitis C
  申请人：AstraZeneca AB

  公开号：US08008303B2

  公开（公告）日：2011-08-30

  Use of a compound which is a biphenyl derivative of formula (I), or a pharmaceutically acceptable salt thereof, for the treatment of Hepatitis C wherein the variables are described herein.

  使用公式（I）的二苯基衍生物化合物或其药学上可接受的盐，用于治疗丙型肝炎，其中变量在此处描述。
• US8008303B2
  申请人：——

  公开号：US8008303B2

  公开（公告）日：2011-08-30