N-(3-hydroxy-4-(methoxyamino)-4-oxo-1-phenylbutan-2-yl)-2-(3-(4-morpholinophenyl)-1H-pyrazol-1-yl)nicotinamide | 1311473-92-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: N-(3-hydroxy-4-(methoxyamino)-4-oxo-1-phenylbutan-2-yl)-2-(3-(4-morpholinophenyl)-1H-pyrazol-1-yl)nicotinamide
• 英文别名: N-[3-hydroxy-4-(methoxyamino)-4-oxo-1-phenylbutan-2-yl]-2-[3-(4-morpholin-4-ylphenyl)pyrazol-1-yl]pyridine-3-carboxamide
• CAS: 1311473-92-3
• 化学式: C₃₀H₃₂N₆O₅
• 分子量: 556.621
• InChiKey: ROSFEHLINQTUOW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  41
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  131
• 氢给体数：
  3
• 氢受体数：
  8

文献信息

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

  公开号：US20110152265A1

  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 1 -C 3 -alkyl, C 1 -C 3 -haloalkyl, C 2 -C 4 -alkenyl, C 3 -C 6 -cycloalkyl, C 3 -C 6 -cycloalkyl-C 1 -C 2 -alkyl, or phenyl-C 1 -C 3 -alkyl, 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用于治疗与升高的calpain活性相关的疾病。这些羧酰胺化合物是通式I的化合物，其中R1、R2、R3、R4、R5、m和n在权利要求书和说明书中提到了它们的含义，它们的互变异构体，水合物和药学上适宜的盐。其中，偏好使用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C1-C3-烷基，C1-C3-卤代烷基，C2-C4-烯基，C3-C6-环烷基，C3-C6-环烷基-C1-C2-烷基或苯基-C1-C3-烷基，R4和R5各自独立地是卤素，CF3，CHF2，CH2F，C1-C2-烷基或C1-C2-烷氧基，而m和n各自独立地为0或1。
• CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS
  申请人：AbbVie Deutschland GmbH & Co KG

  公开号：EP2516393B1

  公开（公告）日：2014-10-29
• US9051304B2
  申请人：——

  公开号：US9051304B2

  公开（公告）日：2015-06-09