N-[(1S)-1-(Aminocarbonyl)-3-methylbutyl]-5-chloro-6-[4-(2-oxo-2H-3,1-benzoxazin-1(4H)-yl)piperidin-1-yl]pyridine-3-carboxamide | 345583-39-3

• 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: N-[(1S)-1-(Aminocarbonyl)-3-methylbutyl]-5-chloro-6-[4-(2-oxo-2H-3,1-benzoxazin-1(4H)-yl)piperidin-1-yl]pyridine-3-carboxamide
• 英文别名: N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-chloro-6-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]pyridine-3-carboxamide
• CAS: 345583-39-3
• 化学式: C₂₅H₃₀ClN₅O₄
• 分子量: 499.997
• InChiKey: JPRTZUYSDFFSDV-FQEVSTJZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  35
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  118
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N-[(1R)-1-(Aminocarbonyl)-2-methylpropyl]-5-chloro-6-[4-(2-oxo-2H-3,1-benzoxazin-1(4H)-yl)piperidin-1-yl]pyridine-3-carboxamide 、 L-亮氨酰胺盐酸盐 生成 N-[(1S)-1-(Aminocarbonyl)-3-methylbutyl]-5-chloro-6-[4-(2-oxo-2H-3,1-benzoxazin-1(4H)-yl)piperidin-1-yl]pyridine-3-carboxamide
  参考文献：
  名称：

  P2x7 receptor antagonists for use in the treatment of inflammatory, immune or cardiovascular diseases

  摘要：

  该发明提供了一般式（I）中的哌啶化合物，其中A、B、X、Y、Z、R、R1和R2如规范中所定义，它们的用途作为药物、含有它们的组合物以及它们的制备方法。

  公开号：

  US20030040513A1

文献信息

• P2X7 receptor antagonists for use in the treatment of inflammatory, immune or cardiovascular disease
  申请人：AstraZeneca AB

  公开号：US06812226B2

  公开（公告）日：2004-11-02

  The invention provides piperidine compounds of general formula (I) in which A, B, X, Y, Z, R, R1 and R2 are as defined in the specification, their use as medicaments, compositions containing them and processes for their for their preparation.

  本发明提供了一般式（I）中的哌啶化合物，其中A，B，X，Y，Z，R，R1和R2在规范中定义，它们作为药物的用途，包含它们的组合物以及它们的制备过程。
• NEW P2X 7 RECEPTOR ANTAGONISTS FOR USE IN THE TREATMENT OF INFLAMMATORY, IMMUNE OR CARDIOVASCULAR DISEASES
  申请人：AstraZeneca AB

  公开号：EP1242396A1

  公开（公告）日：2002-09-25
• US6812226B2
  申请人：——

  公开号：US6812226B2

  公开（公告）日：2004-11-02
• [EN] NEW P2X7 RECEPTOR ANTAGONISTS FOR USE IN THE TREATMENT OF INFLAMMATORY, IMMUNE OR CARDIOVASCULAR DISEASES<br/>[FR] NOUVEAUX ANTAGONISTES DES RECEPTEURS P2X7 UTILES DANS LE TRAITEMENT DE MALADIES INFLAMMATOIRES, IMMUNITAIRES OU CARDIOVASCULAIRES
  申请人：ASTRAZENECA AB

  公开号：WO2001044213A1

  公开（公告）日：2001-06-21

  The invention provides piperidine compounds of general formula (I) in which A, B, X, Y, Z, R, R?1 and R2¿ are as defined in the specification, their use as medicaments, compositions containing them and processes for their for their preparation.
• P2x7 receptor antagonists for use in the treatment of inflammatory, immune or cardiovascular diseases
  申请人：——

  公开号：US20030040513A1

  公开（公告）日：2003-02-27

  The invention provides piperidine compounds of general formula (I) in which A, B, X, Y, Z, R, R 1 and R 2 are as defined in the specification, their use as medicaments, compositions containing them and processes for their for their preparation.

  该发明提供了一般式（I）中的哌啶化合物，其中A、B、X、Y、Z、R、R1和R2如规范中所定义，它们的用途作为药物、含有它们的组合物以及它们的制备方法。