1,2,6-trimethyl-4-(4-trifluoromethylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3-ethyl ester 5-methyl ester | 137887-78-6

• 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 3-ethyl ester 5-methyl ester
• 英文别名: 5-O-ethyl 3-O-methyl 1,2,6-trimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate
• CAS: 137887-78-6
• 化学式: C₂₀H₂₂F₃NO₄
• 分子量: 397.394
• InChiKey: UYFPUGYMPDYIAR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  8

文献信息

• 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.