N-(4-(cyclopropylamino)-1-(4-fluorophenyl)-3-hydroxy-4-oxobutan-2-yl)-2-(3-phenyl-1H-pyrazol-1-yl)nicotinamide | 1312010-61-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N-(4-(cyclopropylamino)-1-(4-fluorophenyl)-3-hydroxy-4-oxobutan-2-yl)-2-(3-phenyl-1H-pyrazol-1-yl)nicotinamide
• 英文别名: N-[4-(cyclopropylamino)-1-(4-fluorophenyl)-3-hydroxy-4-oxobutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
• CAS: 1312010-61-9
• 化学式: C₂₈H₂₆FN₅O₃
• 分子量: 499.545
• InChiKey: HVYXPXBRMXOYPV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  37
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  109
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-(2-(3-phenyl-1H-pyrazol-1-yl)nicotinamido)-2-hydroxy-4-(4-fluorophenyl)-butanoic acid 、 环丙胺 生成 N-(4-(cyclopropylamino)-1-(4-fluorophenyl)-3-hydroxy-4-oxobutan-2-yl)-2-(3-phenyl-1H-pyrazol-1-yl)nicotinamide
  参考文献：
  名称：

  CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS IV

  摘要：

  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活性有关的疾病。

  公开号：

  US20140179702A1

文献信息

• US8598211B2
  申请人：——

  公开号：US8598211B2

  公开（公告）日：2013-12-03
• [EN] CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS IV<br/>[FR] COMPOSÉS CARBOXAMIDE ET LEUR UTILISATION COMME INHIBITEURS DE LA CALPAÏNE IV
  申请人：ABBOTT GMBH & CO KG

  公开号：WO2011076812A1

  公开（公告）日：2011-06-30

  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 R1, R2, R3 R4, R5,, 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 R1 is optionally substituted phenyl-C1-C2-alkyl or hetaryl-C1-C2-alkyl, R2 is optionally substituted aryl, hetaryl, aryl-C1-C6-alkyl, aryl-C2-C6-alkenyl or hetaryl-C1-C4-alkyl, R3 is C3-C4-alkyl, C1-C4-haloalkyl, C2-C4-alkenyl, C3-C6-cycloalkyl, C3-C6-cycloalkyl-C1-C2-alkyl, C3-C6- heterocycloalkyl-C1-C2-alkyl, phenyl-C1-C3-alkyl, pyridin-2-yl-C1-C3-alkyl or 1,3- benzoxazol-2-yl-methyl, R4 and R5 independently of one another are halogen, CF3, CHF2, CH2F, C1-C2-alkyl or C1-C2-alkoxy, and m and n independently of one another are 0 or 1.