N-(1-amino-2-hydroxy-1-oxoheptan-3-yl)-2-(3-(isoindolin-2-ylmethyl)-1H-pyrazol-1-yl)nicotinamide | 1466454-98-7

• 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-(1-amino-2-hydroxy-1-oxoheptan-3-yl)-2-(3-(isoindolin-2-ylmethyl)-1H-pyrazol-1-yl)nicotinamide
• 英文别名: N-(1-amino-2-hydroxy-1-oxoheptan-3-yl)-2-[3-(1,3-dihydroisoindol-2-ylmethyl)pyrazol-1-yl]pyridine-3-carboxamide
• CAS: 1466454-98-7
• 化学式: C₂₅H₃₀N₆O₃
• 分子量: 462.552
• InChiKey: FZYIULZUTNHGDN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  34
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  126
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS V
  申请人：ABBVIE DEUTSCHLAND GMBH &CO. KG

  公开号：US20150065477A1

  公开（公告）日：2015-03-05

  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 and n have the meanings mentioned in the claims and the description, Y is a radical of the formulae (Y1) or (Y2) where # indicates the point of attachment of Y to the pyridine ring, R 3 , R 4 , R 5 , R y and m have the meanings mentioned in the claims and the description, A is (CH 2 ) p with p being 1, 2, 3 or 4, where one or two hydrogen atoms may be replaced by a radical R 6 , where A is attached to the 3- or 4-position of the pyrazole radical and R 6 has the meaning mentioned in the claims and the description; A 1 is (CH 2 )q with q being 0, 1, 2 or 3, where one or two hydrogen atoms may be replaced by halogen or C 1 -C 4 -alkyl; and A 2 is (CH 2 )r with r being 0, 1, 2 or 3, where one or two hydrogen atoms may be replaced by halogen or C 1 -C 4 -alkyl, provided that that r+q is 2, 3, 4, 5 or 6; their tautomers, the hydrates thereof, the pharmaceutically suitable salts of the carbox-amide compounds (I), the prodrugs of (I) and the pharmaceutically suitable salts of the prodrugs, tautomers or hydrates of (I).

  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。羧酰胺化合物是通式（I）的化合物，其中R1、R2和n具有所述权利要求和说明中提到的含义，Y是式（Y1）或（Y2）的基团，其中#表示Y与吡啶环的连接点，R3、R4、R5、Ry和m具有所述权利要求和说明中提到的含义，A是（CH2）p，其中p为1、2、3或4，其中一个或两个氢原子可以被基团R6替换，其中A连接到吡唑基团的3或4位，R6具有所述权利要求和说明中提到的含义；A1是（ ）q，其中q为0、1、2或3，其中一个或两个氢原子可以被卤素或C1-C4烷基替换；A2是（ ）r，其中r为0、1、2或3，其中一个或两个氢原子可以被卤素或C1-C4烷基替换，前提是r+q为2、3、4、5或6；它们的互变异构体，其水合物，羧酰胺化合物（I）的药学适用盐，（I）的前药和前药的药学适用盐，互变异构体或水合物。
• US9150545B2
  申请人：——

  公开号：US9150545B2

  公开（公告）日：2015-10-06