1,2,6-trimethyl-4-(4-trifluoromethylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid monomethyl ester | 1439268-95-7

• 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: 1,2,6-trimethyl-4-(4-trifluoromethylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid monomethyl ester
• 英文别名: 5-methoxycarbonyl-1,2,6-trimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxylic acid
• CAS: 1439268-95-7
• 化学式: C₁₈H₁₈F₃NO₄
• 分子量: 369.34
• InChiKey: KQFKKOVQAHWJKB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1,2,6-trimethyl-4-(4-trifluoromethylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dimethylester 在 potassium hydroxide 、 盐酸 作用下， 以 乙醇 、 水 为溶剂， 反应 8.0h， 生成 1,2,6-trimethyl-4-(4-trifluoromethylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid monomethyl ester
  参考文献：
  名称：

  [EN] 1,4- DIHYDROPYRIDINE DERIVATIVES WITH HSP MODULATING ACTIVITY
  [FR] DÉRIVÉS DE 1,4-DIHYDROPYRIDINE AYANT UNE ACTIVITÉ MODULANT HSP

  摘要：

  该发明提供了式（I）的1,4-二氢吡啶衍生物，其中R1是可选择取代的C6-24芳基或含有1至3个氮原子或其他杂原子（如氧和硫）的5至6成员杂芳基，以及它们的组合；R2和R3分别是氢或C1-6烷基基团；R4和R5分别是氢、C1-6烷基基团，可选择地取代为氨基、单或双（C1-6烷基）氨基，或通过氮原子连接的5至24成员可选择融合的杂环基团，可选择地包含额外的1至3个N、O、S杂原子，并可选择地取代为C1-6烷基基团或C1-6烷氧基基团；R6是C1-6烷基、C3-7环烷基、C3-7环烷基C1-6烷基或芳基C1-6烷基基团；以及包括对映异构体、二对映异构体、外消旋混合物、对映异构体混合物和它们的组合，以及多型体、药用可接受盐、溶剂合物、酯类和它们的前药，用于治疗或预防由热休克蛋白介导的疾病。

  公开号：

  WO2013076516A1

文献信息

• 1,4- DIHYDROPYRIDINE DERIVATIVES WITH HSP MODULATING ACTIVITY
  申请人：LIPIDART KUTATÓ FEJLESZTÖ ÉS TANÁCSADÓ KFT.

  公开号：US20140315893A1

  公开（公告）日：2014-10-23

  The invention provides 1,4-dihydropyridine derivatives of formula (I) wherein R 1 is optionally substituted C 6-24 aryl group or 5 to 6 membered heteroaryl group comprising 1 to 3 nitrogen atoms or other heteroatoms like oxygen and sulphur, and combinations thereof; R 2 and R 3 are independently hydrogen or C 1-6 alkyl group; R 4 and R 5 are independently hydrogen, C 1-6 alkyl group optionally substituted with amino, mono- or di(C 1-6 alkyl)amino, or with 5 to 24 membered optionally fused heterocyclic ring attached by nitrogen and optionally comprising additional 1 to 3 N, O, S heteroatoms and optionally substituted with C 1-6 alkyl group or C 1-6 alkoxy group; R 6 is C 1-6 alkyl, C 3-7 cycloalkyl, C 3-7 cycloalkylC 1-6 alkyl or arylC 1-6 alkyl group; and stereoisomers including enantiomers, diastereomers, racemic mixtures, mixture of enantiomers and combination thereof, as well as polymorphs, pharmaceutically acceptable salts, solvates, esters and prodrugs thereof for use in the therapeutic or prophylactic treatment of a disorder mediated by heat shock proteins.

  本发明提供了式（I）的1,4-二氢吡啶衍生物，其中R1是可选择取代的C6-24芳基或含有1至3个氮原子或其他杂原子（如氧和硫）的5至6成员杂芳基，以及它们的组合；R2和R3分别是氢或C1-6烷基；R4和R5分别是氢，C1-6烷基（可选择取代氨基，单-或双（C1-6烷基）氨基）或带有氮原子的5至24成员可选择融合的杂环，该杂环可选择包含附加的1至3个N、O、S杂原子并可选择取代C1-6烷基或C1-6烷氧基；R6是C1-6烷基，C3-7环烷基，C3-7环烷基C1-6烷基或芳基C1-6烷基；以及立体异构体，包括对映异构体，顺反异构体，混合对映体和它们的组合，以及其药物学上可接受的盐，溶剂化合物，酯和前药，用于治疗或预防由热休克蛋白介导的疾病。
• 1,4-dihydropyridine derivatives with Hsp modulating activity
  申请人：RICHTER GEDEON NYRT.

  公开号：US10258498B2

  公开（公告）日：2019-04-16

  The invention provides 1,4-dihydropyridine derivatives of formula (I) wherein R1 is optionally substituted C6-24aryl group or 5 to 6 membered heteroaryl group comprising 1 to 3 nitrogen atoms or other heteroatoms like oxygen and sulphur, and combinations thereof; R2 and R3 are independently hydrogen or C1-6alkyl group; R4 and R5 are independently hydrogen, C1-6alkyl group optionally substituted with amino, mono- or di(C1-6alkyl)amino, or with 5 to 24 membered optionally fused heterocyclic ring attached by nitrogen and optionally comprising additional 1 to 3 N, O, S heteroatoms and optionally substituted with C1-6alkyl group or C1-6 alkoxy group; R6 is C1-6alkyl, C3-7cycloalkyl, C3-7cycloalkylC1-6alkyl or arylC1-6alkyl group; and stereoisomers including enantiomers, diastereomers, racemic mixtures, mixture of enantiomers and combination thereof, as well as polymorphs, pharmaceutically acceptable salts, solvates, esters and prodrugs thereof for use in the therapeutic or prophylactic treatment of a disorder mediated by heat shock proteins.

  本发明提供了式(I)的1,4-二氢吡啶衍生物，其中R1是任选取代的C6-24芳基或包含1-3个氮原子或其他杂原子（如氧和硫）的5-6成员杂芳基及其组合；R2和R3独立地为氢或C1-6烷基；R4 和 R5 独立地为氢、任选被氨基、一或二（C1-6-烷基）氨基取代的 C1-6 烷基、或由氮连接的 5 至 24 个成员的任选融合杂环，并任选包含 1 至 3 个 N、O、S 杂原子和任选被 C1-6 烷基或 C1-6 烷氧基取代；R6是C1-6烷基、C3-7环烷基、C3-7环烷基C1-6烷基或芳基C1-6烷基；以及立体异构体，包括对映体、非对映体、外消旋混合物、对映体混合物及其组合，以及其多晶型、药学上可接受的盐、溶液剂、酯和原药，用于治疗或预防由热休克蛋白介导的疾病。
• 1,4-dihydropyridine derivatives with HSP modulating activity
  申请人：Richter Gedeon NYRT.

  公开号：US10660789B2

  公开（公告）日：2020-05-26

  The invention provides 1,4-dihydropyridine derivatives of formula (I) wherein R1 is optionally substituted C6-24aryl group or 5 to 6 membered heteroaryl group comprising 1 to 3 nitrogen atoms or other heteroatoms like oxygen and sulphur, and combinations thereof; R2 and R3 are independently hydrogen or C1-6alkyl group; R4 and R5 are independently hydrogen, C1-6alkyl group optionally substituted with amino, mono- or di(C1-6alkyl)amino, or with 5 to 24 membered optionally fused heterocyclic ring attached by nitrogen and optionally comprising additional 1 to 3 N, O, S heteroatoms and optionally substituted with C1-6alkyl group or C1-6 alkoxy group; R6 is C1-6alkyl, C3-7cycloalkyl, C3-7cycloalkylC1-6alkyl or arylC1-6alkyl group; and stereoisomers including enantiomers, diastereomers, racemic mixtures, mixture of enantiomers and combination thereof, as well as polymorphs, pharmaceutically acceptable salts, solvates, esters and prodrugs thereof for use in the therapeutic or prophylactic treatment of a disorder mediated by heat shock proteins.

  本发明提供了式(I)的1,4-二氢吡啶衍生物，其中R1是任选取代的C6-24芳基或包含1-3个氮原子或其他杂原子（如氧和硫）的5-6成员杂芳基及其组合；R2和R3独立地为氢或C1-6烷基；R4 和 R5 独立地为氢、任选被氨基、一或二（C1-6-烷基）氨基取代的 C1-6 烷基、或由氮连接的 5 至 24 个成员的任选融合杂环，并任选包含 1 至 3 个 N、O、S 杂原子和任选被 C1-6 烷基或 C1-6 烷氧基取代；R6是C1-6烷基、C3-7环烷基、C3-7环烷基C1-6烷基或芳基C1-6烷基；以及立体异构体，包括对映体、非对映体、外消旋混合物、对映体混合物及其组合，以及其多晶型、药学上可接受的盐、溶液剂、酯和原药，用于治疗或预防由热休克蛋白介导的疾病。
• 1,4-DIHYDROPYRIDINE DERIVATIVES WITH HSP MODULATING ACTIVITY
  申请人：Richter Gedeon Nyrt.

  公开号：EP2782573B1

  公开（公告）日：2019-10-09
• 1,4-Dihydropyridine Derivatives With HSP Modulating Activity
  申请人：Richter Gedeon NYRT.

  公开号：US20190192336A1

  公开（公告）日：2019-06-27

  The invention provides 1,4-dihydropyridine derivatives of formula (I) wherein R 1 is optionally substituted C 6-24 aryl group or 5 to 6 membered heteroaryl group comprising 1 to 3 nitrogen atoms or other heteroatoms like oxygen and sulphur, and combinations thereof; R 2 and R 3 are independently hydrogen or C 1-6 alkyl group; R 4 and R 5 are independently hydrogen, C 1-6 alkyl group optionally substituted with amino, mono- or di(C 1-6 alkyl)amino, or with 5 to 24 membered optionally fused heterocyclic ring attached by nitrogen and optionally comprising additional 1 to 3 N, O, S heteroatoms and optionally substituted with C 1-6 alkyl group or C 1-6 alkoxy group; R 6 is C 1-6 alkyl, C 3-7 cycloalkyl, C 3-7 cycloalkylC 1-6 alkyl or arylC 1-6 alkyl group; and stereoisomers including enantiomers, diastereomers, racemic mixtures, mixture of enantiomers and combination thereof, as well as polymorphs, pharmaceutically acceptable salts, solvates, esters and prodrugs thereof for use in the therapeutic or prophylactic treatment of a disorder mediated by heat shock proteins.