methyl 2-(2-hydroxy-4-phenyl-3-(2-(3-phenyl-1H-pyrazol-1-yl)nicotinamido)butanamido)acetate | 1312010-76-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: methyl 2-(2-hydroxy-4-phenyl-3-(2-(3-phenyl-1H-pyrazol-1-yl)nicotinamido)butanamido)acetate
• 英文别名: Methyl 2-[[2-hydroxy-4-phenyl-3-[[2-(3-phenylpyrazol-1-yl)pyridine-3-carbonyl]amino]butanoyl]amino]acetate
• CAS: 1312010-76-6
• 化学式: C₂₈H₂₇N₅O₅
• 分子量: 513.553
• InChiKey: XFJISOVSDSVBFP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  38
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  135
• 氢给体数：
  3
• 氢受体数：
  7

文献信息

• CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS IV
  申请人：Kling Andreas

  公开号：US20110152325A1

  公开（公告）日：2011-06-23

  The present invention relates to novel carboxamide compounds and their use for the manufacture of a medicament. The carboxamide compounds are inhibitors of calpain (calcium dependant cysteine proteases). The invention therefore also relates to the use of these carboxamide compounds for treating a disorder associated with an elevated calpain activity. The carboxamide compounds are compounds of the general formula I in which R 1 , R 2 , R 3 R 4 , R 5 , m and n have the meanings mentioned in the claims and the description, the tautomers thereof, the hydrates thereof and the pharmaceutically suitable salts thereof. Of these compounds those are preferred wherein R 1 is optionally substituted phenyl-C 1 -C 2 -alkyl or hetaryl-C 1 -C 2 -alkyl, R 2 is optionally substituted aryl, hetaryl, aryl-C 1 -C 6 -alkyl, aryl-C 2 -C 6 -alkenyl or hetaryl-C 1 -C 4 -alkyl, R 3 is C 3 -C 4 -alkyl, C 1 -C 4 -haloalkyl, C 2 -C 4 -alkenyl, C 3 -C 6 -cycloalkyl, C 3 -C 6 -cycloalkyl-C 1 -C 2 -alkyl, C 3 -C 6 -heterocycloalkyl-C 1 -C 2 -alkyl, phenyl-C 1 -C 3 -alkyl, pyridin-2-yl-C 1 -C 3 -alkyl or 1,3-benzoxazol-2-yl-methyl, R 4 and R 5 independently of one another are halogen, CF 3 , CHF 2 , CH 2 F, C 1 -C 2 -alkyl or C 1 -C 2 -alkoxy, and m and n independently of one another are 0 or 1.

  本发明涉及新型羧酰胺化合物及其用于制备药物的用途。这些羧酰胺化合物是钙依赖性半胱氨酸蛋白酶(calpain)的抑制剂。因此，本发明还涉及使用这些羧酰胺化合物治疗与升高的calpain活性相关的疾病的用途。这些羧酰胺化合物是一般式I的化合物，其中R1、R2、R3、R4、R5、m和n具有权利要求书和说明中提到的含义，它们的互变异构体、水合物和药学上适用的盐也是如此。在这些化合物中，优选的是R1为可选取代的苯基-C1-C2-烷基或杂环基-C1-C2-烷基，R2为可选取代的芳基、杂环基、芳基-C1-C6-烷基、芳基-C2-C6-烯基或杂环基-C1-C4-烷基，R3为C3-C4-烷基、C1-C4-卤代烷基、C2-C4-烯基、C3-C6-环烷基、C3-C6-环烷基-C1-C2-烷基、C3-C6-杂环环烷基-C1-C2-烷基、苯基-C1-C3-烷基、吡啶-2-基-C1-C3-烷基或1,3-苯并噁唑-2-基-甲基，R4和R5独立地是卤素、CF3、CHF2、CH2F、C1-C2-烷基或C1-C2-烷氧基，m和n独立地为0或1。
• US8598211B2
  申请人：——

  公开号：US8598211B2

  公开（公告）日：2013-12-03