4-[(Z)-2-cyano-2-(3,4-dimethoxy-phenyl)-vinyl]-phenyl [1,4']bipiperidinyl-1'-carboxylate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 4-[(Z)-2-cyano-2-(3,4-dimethoxy-phenyl)-vinyl]-phenyl [1,4']bipiperidinyl-1'-carboxylate
• 英文别名: [4-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]phenyl] 4-piperidin-1-ylpiperidine-1-carboxylate
• 化学式: C₂₈H₃₃N₃O₄
• 分子量: 475.588
• InChiKey: LMMGVCZYASWUFD-PTGBLXJZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  35
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  75
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (Z)-2-(3,4-dimethoxy-phenyl)-3-(4-hydroxy-phenyl)-acrylonitrile 、 [1,4'-联哌啶]-1'-甲酰氯 在 吡啶 作用下， 以79%的产率得到4-[(Z)-2-cyano-2-(3,4-dimethoxy-phenyl)-vinyl]-phenyl [1,4']bipiperidinyl-1'-carboxylate
  参考文献：
  名称：

  EP1591117

  摘要：

  公开号：

文献信息

• Breast cancer resistance protein (bcrp) inhibitor
  申请人：Yamazaki Ryuta

  公开号：US20060128636A1

  公开（公告）日：2006-06-15

  The invention provides a drug which inhibits BCRP. A breast cancer resistance protein inhibitor containing, as an active ingredient, a diphenylacrylonitrile derivative represented by the following formula (1): [wherein, each of 8 R's, which are the same or different from one another, represents a hydrogen atom, a hydroxyl group, a nitro group, an amino group, an acetylamino group (—NHCOCH 3 group); a cyano group (—CN group); a formyl group (—CHO group), —COOR 1 (R 1 is hydrogen or C1-C4 alkyl), —O(CH 2 ) n COOR 2 (n=1−7: R 2 is hydrogen or C1-C4 alkyl), —OOCCH 2 CH 2 COOR 3 (R 3 is hydrogen, C1-C4 alkyl, (Z)-2-(3,4-dimethoxy-phenyl)-3-(4-hydroxy-phenyl)-acrylonitrile, or glycopyranosyl), a C1-C8 alkoxy group, a C1-C4 alkyl group, a halogen atom, a C1-C4 alkoxy C1-C4 alkoxy C1-C4 alkoxy group, a C2-C8 acyloxy group, a C2-C8 halogenoacyloxy group, a methylenedioxy group, a trifluoromethyl group, a phosphate group (i.e., —OP(O) (OH) 2 ) or a salt thereof, a sulfate group (i.e., —OSO 3 H) or a salt thereof, a glycopyranosyl group or a salt thereof, a phosphate ester of a glycopyranosyl group or a salt of the ester, a sulfate ester of a glycopyranosyl group or a salt of the ester, or a piperidinopiperidinocarbonyloxy group], an ester thereof, or a salt thereof.

  本发明提供了一种抑制BCRP的药物。一种含有以下式（1）所表示的二苯乙烯腈衍生物作为活性成分的乳腺癌耐药蛋白抑制剂：[其中，8个R分别表示氢原子、羟基、硝基、氨基、乙酰氨基（—NHCOCH3基）、氰基（—CN基）、甲酰基（—CHO基）、—COOR1（R1为氢或C1-C4烷基）、—O（CH2）nCOOR2（n = 1-7：R2为氢或C1-C4烷基）、—OOCCH2CH2COOR3（R3为氢、C1-C4烷基、（Z）-2-（3,4-二甲氧基苯基）-3-（4-羟基苯基）-丙烯腈或葡萄糖基）、C1-C8烷氧基、C1-C4烷基、卤原子、C1-C4烷氧基C1-C4烷氧基C1-C4烷氧基、C2-C8酰氧基、C2-C8卤代酰氧基、亚甲二氧基基团、三氟甲基基团、磷酸酯基团（即—OP（O）（OH）2）或其盐、硫酸酯基团（即—OSO3H）或其盐、葡萄糖基或其盐、葡萄糖基的磷酸酯或酯的盐、葡萄糖基的硫酸酯或酯的盐，或者是它的酯或盐。
• Breast cancer resistance protein (BCRP) inhibitor
  申请人：Kabushiki Kaisha Yakult Honsha

  公开号：US07371773B2

  公开（公告）日：2008-05-13

  The invention provides a drug which inhibits BCRP. A breast cancer resistance protein inhibitor containing, as an active ingredient, a diphenylacrylonitrile derivative represented by the following formula (1): [wherein, each of 8 R's, which are the same or different from one another, represents a hydrogen atom, a hydroxyl group, a nitro group, an amino group, an acetylamino group (—NHCOCH3 group); a cyano group (—CN group); a formyl group (—CHO group), —COOR1 (R1 is hydrogen or C1-C4 alkyl), —O(CH2)nCOOR2 (n=1−7: R2 is hydrogen or C1-C4 alkyl), —OOCCH2CH2COOR3 (R3 is hydrogen, C1-C4 alkyl, (Z)-2-(3,4-dimethoxy-phenyl)-3-(4-hydroxy-phenyl)-acrylonitrile, or glycopyranosyl), a C1-C8 alkoxy group, a C1-C4 alkyl group, a halogen atom, a C1-C4 alkoxy C1-C4 alkoxy C1-C4 alkoxy group, a C2-C8 acyloxy group, a C2-C8 halogenoacyloxy group, a methylenedioxy group, a trifluoromethyl group, a phosphate group (i.e., —OP(O) (OH)2) or a salt thereof, a sulfate group (i.e., —OSO3H) or a salt thereof, a glycopyranosyl group or a salt thereof, a phosphate ester of a glycopyranosyl group or a salt of the ester, a sulfate ester of a glycopyranosyl group or a salt of the ester, or a piperidinopiperidinocarbonyloxy group], an ester thereof, or a salt thereof.

  该发明提供了一种抑制BCRP的药物。一种含有以下式（1）所表示的二苯丙烯腈衍生物作为活性成分的乳腺癌耐药蛋白抑制剂：[其中，8个R，它们相同或不同，分别表示氢原子，羟基，硝基，氨基，乙酰氨基（—NHCOCH3基），氰基（—CN基），甲酰基（—CHO基），—COOR1（R1为氢或C1-C4烷基），—O（CH2）nCOOR2（n = 1-7：R2为氢或C1-C4烷基），—OOCCH2CH2COOR3（R3为氢，C1-C4烷基，（Z）-2-（3,4-二甲氧基苯基）-3-（4-羟基苯基）-丙烯腈或甘露糖基），C1-C8烷氧基，C1-C4烷基，卤原子，C1-C4烷氧基C1-C4烷氧基C1-C4烷氧基，C2-C8酰氧基，C2-C8卤代酰氧基，亚甲二氧基基团，三氟甲基基团，磷酸盐基（即—OP（O）（OH）2）或其盐，硫酸盐基（即—OSO3H）或其盐，甘露糖基或其盐，甘露糖基的磷酸酯或其盐，甘露糖基的硫酸酯或其盐，或哌啶基哌啶羧酰氧基]，其酯或其盐。
• EP1591117
  申请人：——

  公开号：——

  公开（公告）日：——