4-(4-ethoxycarbonyl-4,5-dihydrothiazol-2-yl)-piperidine-1-carboxylic acid tert-butyl ester | 881197-94-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 4-(4-ethoxycarbonyl-4,5-dihydrothiazol-2-yl)-piperidine-1-carboxylic acid tert-butyl ester
• 英文别名: 4-(4-Ethoxycarbonyl-4,5-dihydro-thiazol-2-yl)-piperidine-1-carboxylic acid t-butyl ester；4-(4-ethoxycarbonyl-4,5-dihydro-thiazol-2-yl)piperidine-1-carboxylic acid t-butyl ester；4-(4-ethoxycarbonyl-4,5-dihydrothiazol-2-yl)piperidine-1-carboxylic acid t-butyl ester；1-Boc-4-(4-Ethoxycarbonyl-4,5-dihydrothiazol-2-yl)piperidine；ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate
• CAS: 881197-94-0
• 化学式: C₁₆H₂₆N₂O₄S
• 分子量: 342.459
• InChiKey: CETVGMOPAOEEEY-UHFFFAOYSA-N

物化性质

• 沸点：
  436.0±45.0 °C(Predicted)
• 密度：
  1.25±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  93.5
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 海关编码：
  2934100090

反应信息

• 作为反应物：
  描述：

  4-(4-ethoxycarbonyl-4,5-dihydrothiazol-2-yl)-piperidine-1-carboxylic acid tert-butyl ester 在 二氧化锰 甲苯 、 乙酸乙酯 、 silica gel 作用下， 以 甲苯 为溶剂， 反应 5.0h， 生成 4-[4-(乙氧羰酰)-1,3-噻唑-2-YL]四氢-1(2H)-吡啶羧酸叔丁酯
  参考文献：
  名称：

  Novel Heterocyclic Nf-Kb Inhibitors

  摘要：

  本发明涉及一般式(I)的化合物及其盐和生理功能衍生物，其中R1独立地为氢、烷基、环烷基、羟基烷基、卤代烷基、卤代烷氧基、芳基、取代芳基、杂环芳基、取代杂环芳基、芳基烷基或取代芳基烷基；R2独立地为—NR3R4、(II)或(III)，其中R3独立地为烷基、环烷基、烷氧基、烷基胺、—OH、—SH、烷硫基、羟基烷基、卤代烷基、卤代烷氧基、芳基或杂环芳基，R4独立地为烷基、环烷基、烷氧基、烷基胺、烷硫基、羟基烷基、卤代烷基、卤代烷氧基、芳基或杂环芳基；R5独立地为H、COR6、CO2R6、SOR6、SO2R6、SO3R6、烷基、环烷基、烷氧基、—NH2、烷基胺、—NR7COR6、卤素、—OH、—SH、烷硫基、羟基烷基、卤代烷基、卤代烷氧基、芳基或杂环芳基；R6独立地为H、烷基、环烷基、—NH2、烷基胺、芳基或杂环芳基；R7独立地为H、烷基、环烷基、烷氧基、—OH、—SH、烷硫基、羟基烷基、芳基或杂环芳基；p为0或1；q为0或1；X为CO或SO2。

  公开号：

  US20080261971A1
• 作为产物：
  描述：

  4-(4-Ethoxycarbonyl-thiazol-2-yl)-piperidine-1-carboxylic acid t-butyl ester 4-(4-Ethoxycarbonyl-4,5-dihydro-thiazol-2-yl)-piperidine-1-carboxylic acid tert-butyl ester 在 二氧化锰 甲苯 、 乙酸乙酯 、 silica gel 作用下， 以 甲苯 为溶剂， 反应 5.0h， 生成 4-(4-ethoxycarbonyl-4,5-dihydrothiazol-2-yl)-piperidine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  PHARMACEUTICAL COMPOSITION COMPRISING A CYTOKINE

  摘要：

  本发明涉及一种制药组合物，包括（i）一种细胞因子，和（ii）一种通式（Ih）化合物或其酸或碱的药物可接受盐，或其药物可接受的前药或其立体异构体。示例细胞因子选自以下细胞因子家族群，（i）四α螺旋束家族，包括（a）IL-2亚家族，（b）干扰素（IFN）亚家族和（c）IL-10亚家族，（ii）IL-1家族，（iii）IL-17家族和（iv）趋化因子。

  公开号：

  US20080241100A1

文献信息

• Novel heterocyclic NF-kB inhibitors
  申请人：Leban Johann

  公开号：US20060069102A1

  公开（公告）日：2006-03-30

  The present invention relates to compounds of the general formula (1) and salts and physiologically functional derivatives thereof, wherein R 1 is independently hydrogen; alkyl, cycloalkyl, hydroxyalkyl, haloalkyl, haloalkyloxy, aryl, substituted aryl, heteroaryl, substituted heteroaryl, arylalkyl or substituted arylalkyl; R 2 is independently —NR 3 R 4 , R 3 is independently alkyl, cycloalkyl, alkoxy, alkylamine, —OH, —SH, alkylthio, hydroxyalkyl, haloalkyl, haloalkyloxy, aryl or heteroaryl, R 4 is independently alkyl, cycloalkyl, alkoxy, alkylamine, alkylthio, hydroxyalkyl, haloalkyl, haloalkyloxy, aryl or heteroaryl; R 5 is independently H, COR 6 , CO 2 R 6 , SOR 6 , SO 3 R 6 , alkyl, cycloalkyl, alkoxy, —NH 2 , alkylamine, —NR 7 COR 6 , halogen, —OH, —SH, alkylthio, hydroxyalkyl, haloalkyl, haloalkyloxy, aryl or heteroaryl; R 6 is independently H, alkyl, cycloalkyl, —NH 2 , alkylamine, aryl or heteroaryl; R 7 is independently H, alkyl, cycloalkyl, alkoxy, —OH, —SH, alkylthio, hydroxyalkyl, aryl, or heteroaryl; p is 0, or 1; q is 0, or 1; X is CO, or SO 2 .

  本发明涉及一般式（1）的化合物及其盐和生理功能衍生物，其中R1独立地为氢；烷基，环烷基，羟基烷基，卤代烷基，卤代烷氧基，芳基，取代芳基，杂芳基，取代杂芳基，芳基烷基或取代芳基烷基；R2独立地为—NR3R4，R3独立地为烷基，环烷基，烷氧基，烷基胺，—OH，—SH，烷硫基，羟基烷基，卤代烷基，卤代烷氧基，芳基或杂芳基，R4独立地为烷基，环烷基，烷氧基，烷基胺，烷硫基，羟基烷基，卤代烷基，卤代烷氧基，芳基或杂芳基；R5独立地为H，COR6，CO2R6，SOR6，SO3R6，烷基，环烷基，烷氧基，—NH2，烷基胺，—NR7COR6，卤素，—OH，—SH，烷硫基，羟基烷基，卤代烷基，卤代烷氧基，芳基或杂芳基；R6独立地为H，烷基，环烷基，—NH2，烷基胺，芳基或杂芳基；R7独立地为H，烷基，环烷基，烷氧基，—OH，—SH，烷硫基，羟基烷基，芳基或杂芳基；p为0或1；q为0或1；X为CO或SO2。
• Thiazoles as NF-kB Inhibitors (proteasome inhibitors)
  申请人：4SC AG

  公开号：EP1834954A1

  公开（公告）日：2007-09-19

  The present invention relates to compounds of the general formula(Ig) or pharmaceutically acceptable salts thereof with an acid or a base, or pharmaceutically acceptable prodrugs or a stereoisomer thereof, wherein R1 independently represents H, alkyl, cycloalkyl, hydroxyalkyl, haloalkyl, haloalkyloxy, aryl, or heteroaryl; R2 independently represents NR3R5, R3 independently represents H, COR6, CO2R6, SOR6, SO2R6, SO3R6, alkyl, cycloalkyl, alkoxy, -NH2, alkylamine, -NR7COR6, halogen, -OH, -SH, alkylthio, hydroxyalkyl, haloalkyl, haloalkyloxy, aryl or heteroaryl; R5 independently represents H, COR6, CO2R6, SOR6, SO2R6, SO3R6, alkyl, cycloalkyl, alkoxy, -NH2, alkylamine, -NR7COR6, halogen, -OH, -SH, alkylthio, hydroxyalkyl, haloalkyl, haloalkyloxy, aryl or heteroaryl; R6 independently represents H, alkyl, cycloalkyl, -NH2, alkylamine, aryl or heteroaryl; R7 independently represents H, alkyl, cycloalkyl, alkoxy, -OH, -SH, alkylthio, hydroxyalkyl, aryl, or heteroaryl; p is 0, or 1; q is 0, or 1; X is CO, CS, or SO2.

  本发明涉及一般式（Ig）化合物或其与酸或碱的药学可接受盐，或药学可接受的前药或其立体异构体，其中R1独立表示H，烷基，环烷基，羟基烷基，卤代烷基，卤代烷氧基，芳基或杂环芳基；R2独立表示NR3R5，R3独立表示H，COR6，CO2R6，SOR6，SO2R6，SO3R6，烷基，环烷基，烷氧基，-NH2，烷基胺，-NR7COR6，卤素，-OH，-SH，烷硫基，羟基烷基，卤代烷基，卤代烷氧基，芳基或杂环芳基；R5独立表示H，COR6，CO2R6，SOR6，SO2R6，SO3R6，烷基，环烷基，烷氧基，-NH2，烷基胺，-NR7COR6，卤素，-OH，-SH，烷硫基，羟基烷基，卤代烷基，卤代烷氧基，芳基或杂环芳基；R6独立表示H，烷基，环烷基，-NH2，烷基胺，芳基或杂环芳基；R7独立表示H，烷基，环烷基，烷氧基，-OH，-SH，烷硫基，羟基烷基，芳基或杂环芳基；p为0或1；q为0或1；X为CO，CS或SO2。
• Heterocyclic NF-kB Inhibitors
  申请人：Leban Johann

  公开号：US20070219190A1

  公开（公告）日：2007-09-20

  The present invention relates to compounds of the general formula(Ig) or pharmaceutically acceptable salts thereof with an acid or a base, or pharmaceutically acceptable prodrugs or a stereoisomer thereof, wherein R 1 independently represents H, alkyl, cycloalkyl, hydroxyalkyl, haloalkyl, haloalkyloxy, aryl, or heteroaryl; R 2 independently represents NR 3 R 5 , R 3 independently represents H, COR 6 , CO 2 R 6 , SOR 6 , SO 2 R 6 , SO 3 R 6 , alkyl, cycloalkyl, alkoxy, —NH 2 , alkylamine, —NR 7 COR 6 , halogen, —OH, —SH, alkylthio, hydroxyalkyl, haloalkyl, haloalkyloxy, aryl or heteroaryl; R 5 independently represents H, COR 6 , CO 2 R 6 , SOR 6 , SO 2 R 6 , SO 3 R 6 , alkyl, cycloalkyl alkoxy, —NH 2 , alkylamine, —NR 7 COR 6 , halogen, —OH, —SH, alkylthio, hydroxyalkyl, haloalkyl, haloalkyloxy, aryl or heteroaryl; R 6 independently represents H, alkyl, cycloalkyl, —NH 2 , alkylamine, aryl or heteroaryl; R 7 independently represents H, alkyl, cycloalkyl, alkoxy, —OH, —SH, alkylthio, hydroxyalkyl, aryl, or heteroaryl; p is 0, or 1; q is 0, or 1; X is CO, CS, or SO 2 .

  本发明涉及一般式(Ig)的化合物或其与酸或碱的药物可接受盐，或药物可接受的前药或其立体异构体，其中R1独立地表示H，烷基，环烷基，羟基烷基，卤代烷基，卤代烷氧基，芳基或杂环芳基；R2独立地表示NR3R5，R3独立地表示H，COR6，CO2R6，SOR6，SO2R6，SO3R6，烷基，环烷基，烷氧基，-NH2，烷基胺，-NR7COR6，卤素，-OH，-SH，烷硫基，羟基烷基，卤代烷基，卤代烷氧基，芳基或杂环芳基；R5独立地表示H，COR6，CO2R6，SOR6，SO2R6，SO3R6，烷基，环烷基，烷氧基，-NH2，烷基胺，-NR7COR6，卤素，-OH，-SH，烷硫基，羟基烷基，卤代烷基，卤代烷氧基，芳基或杂环芳基；R6独立地表示H，烷基，环烷基，-NH2，烷基胺，芳基或杂环芳基；R7独立地表示H，烷基，环烷基，烷氧基，-OH，-SH，烷硫基，羟基烷基，芳基或杂环芳基；p为0或1；q为0或1；X为CO，CS或SO2。
• Novel Heterocyclic NF-kB Inhibitors
  申请人：LEBAN Johann

  公开号：US20100004258A1

  公开（公告）日：2010-01-07

  The present invention relates to compounds of the general formula (III): or pharmaceutically acceptable salts thereof with an acid or a base, or pharmaceutically acceptable prodrugs or a stereoisomer thereof.

  本发明涉及一般式（III）的化合物：或其与酸或碱的药学上可接受的盐，或药学上可接受的前药或其立体异构体。
• Novel Heterocyclic Nf-Kb Inhibitors
  申请人：Leban Johann

  公开号：US20080261971A1

  公开（公告）日：2008-10-23

  The present invention relates to compounds of the general formula (I) and salts and physiologically functional derivatives thereof, (I) wherein R 1 is independently hydrogen, alkyl, cycloalkyl, hydroxyalkyl, haloalkyl, haloalkyloxy, aryl, substituted aryl, heteroaryl, substituted heteroaryl, arylalkyl or substituted arylalkyl; R 2 is independently —NR 3 R 4 , (II) or (III) R 3 is independently alkyl, cycloalkyl, alkoxy, alkylamine, —OH, —SH, alkylthio, hydroxyalkyl, haloalkyl, haloalkyloxy, aryl or heteroaryl, R 4 is independently alkyl, cycloalkyl, alkoxy, alkylamine, alkylthio, hydroxyalkyl, haloalkyl, haloalkyloxy, aryl or heteroaryl; R 5 is independently H, COR 6 , CO 2 R 6 , SOR 6 , SO 2 R 6 , SO 3 R 6 , alkyl, cycloalkyl, alkoxy, —NH 2 , alkylamine, —NR 7 COR 6 , halogen, —OH, —SH, alkylthio, hydroxyalkyl, haloalkyl, haloalkyloxy, aryl or heteroaryl; R 6 is independently H, alkyl, cycloalkyl, —NH 2 , alkylamine, aryl or heteroaryl; R 7 is independently H, alkyl, cycloalkyl, alkoxy, —OH, —SH, alkylthio, hydroxyalkyl, aryl, or heteroaryl; p is 0, or 1; q is 0, or 1; X is CO, or SO 2 .

  本发明涉及一般式(I)的化合物及其盐和生理功能衍生物，其中R1独立地为氢、烷基、环烷基、羟基烷基、卤代烷基、卤代烷氧基、芳基、取代芳基、杂环芳基、取代杂环芳基、芳基烷基或取代芳基烷基；R2独立地为—NR3R4、(II)或(III)，其中R3独立地为烷基、环烷基、烷氧基、烷基胺、—OH、—SH、烷硫基、羟基烷基、卤代烷基、卤代烷氧基、芳基或杂环芳基，R4独立地为烷基、环烷基、烷氧基、烷基胺、烷硫基、羟基烷基、卤代烷基、卤代烷氧基、芳基或杂环芳基；R5独立地为H、COR6、CO2R6、SOR6、SO2R6、SO3R6、烷基、环烷基、烷氧基、—NH2、烷基胺、—NR7COR6、卤素、—OH、—SH、烷硫基、羟基烷基、卤代烷基、卤代烷氧基、芳基或杂环芳基；R6独立地为H、烷基、环烷基、—NH2、烷基胺、芳基或杂环芳基；R7独立地为H、烷基、环烷基、烷氧基、—OH、—SH、烷硫基、羟基烷基、芳基或杂环芳基；p为0或1；q为0或1；X为CO或SO2。