3-hydroxy-N-[(1S)-2-methyl-1-({4-[(2-methyl-1,3-benzothiazol-6-yl)oxy]piperidin-1-yl}carbonyl)propyl]quinoxaline-2-carboxamide | 1189549-15-2

• 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: 3-hydroxy-N-[(1S)-2-methyl-1-({4-[(2-methyl-1,3-benzothiazol-6-yl)oxy]piperidin-1-yl}carbonyl)propyl]quinoxaline-2-carboxamide
• 英文别名: N-[(2S)-3-methyl-1-[4-[(2-methyl-1,3-benzothiazol-6-yl)oxy]piperidin-1-yl]-1-oxobutan-2-yl]-3-oxo-4H-quinoxaline-2-carboxamide
• CAS: 1189549-15-2
• 化学式: C₂₇H₂₉N₅O₄S
• 分子量: 519.624
• InChiKey: FCRFRJCUGITWRX-QHCPKHFHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  141
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  (2S)-3-methyl-1-{4-[(2-methyl-1,3-benzothiazol-6-yl)oxy]piperidin-1-yl}-1-oxobutan-2-amine hydrochloride 、 3-羟基-2-喹喔啉羧酸 以74%的产率得到3-hydroxy-N-[(1S)-2-methyl-1-({4-[(2-methyl-1,3-benzothiazol-6-yl)oxy]piperidin-1-yl}carbonyl)propyl]quinoxaline-2-carboxamide
  参考文献：
  名称：

  EP2258697

  摘要：

  公开号：

文献信息

• HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE
  申请人：Motoki Kayoko

  公开号：US20110053933A1

  公开（公告）日：2011-03-03

  The present invention provides a novel hydroxyquinoxaline carboxamide derivative that is useful for preventing and/or treating blood coagulation disorders. A compound represented by formula (i), or a pharmacologically acceptable salt thereof: wherein, each of R 1 and R 2 independently represents a group such as a hydrogen atom or a halogen atom; R 3 represents a group such as a hydrogen atom; each of R 4 and R 5 independently represents a group such as a hydrogen atom, a halogen atom or a C 1-4 alkyl group; each of R 6 and R 7 independently represents a hydrogen atom or a C 1-4 alkyl group; X represents a group such as a C 3-10 cycloalkyl group, C 6-10 aryl group or a 5- to 10-membered heterocyclic group, which may be substituted with substituent(s) selected from substituent group α; Y represents a group such as —CO—, —O— or —NRa—, and Ra represents a group such as a hydrogen atom or a C 1-4 alkyl group.

  本发明提供了一种新型的羟基喹喔啉羧酰胺衍生物，可用于预防和/或治疗血液凝固障碍。该化合物由式(i)表示，或其药学上可接受的盐：其中，R1和R2各自独立地表示氢原子或卤素原子等基团；R3表示氢原子等基团；R4和R5各自独立地表示氢原子、卤素原子或C1-4烷基等基团；R6和R7各自独立地表示氢原子或C1-4烷基等基团；X表示C3-10环烷基、C6-10芳基或5-至10元杂环基等基团，该基团可以被选自取代基团α的取代基团所取代；Y表示—CO—、—O—或—NRa—等基团，其中Ra表示氢原子或C1-4烷基等基团。
• EP2258697
  申请人：——

  公开号：——

  公开（公告）日：——