tert-butyl methyl({1-[(2-methylcyclohexyl)methyl]-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}methyl)carbamate | 1355355-40-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: tert-butyl methyl({1-[(2-methylcyclohexyl)methyl]-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}methyl)carbamate
• 英文别名: tert-butyl N-methyl-N-[[1-[(2-methylcyclohexyl)methyl]-5-oxo-4H-pyrazol-3-yl]methyl]carbamate
• CAS: 1355355-40-6
• 化学式: C₁₈H₃₁N₃O₃
• 分子量: 337.462
• InChiKey: WUWMBXBUMIKPIJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  62.2
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• PYRAZOLE COMPOUND
  申请人：Sasaki Izumi

  公开号：US20130116296A1

  公开（公告）日：2013-05-09

  The present invention relates to a novel serotonin reuptake inhibitor which also exhibits 5-HT 2C antagonistic action (antidepressive and anxiolytic effects), in particular, 5-HT 2C inverse agonistic action comprising Compound (1): or a pharmaceutically acceptable salt thereof wherein R 1 , R 2 , R 3 and R 4 are independently hydrogen or C 1-6 alkyl etc.; R 5 is C 4-7 alkyl or —(CR 8 R 9 ) r -E; R 6 , R 7 , R 8 and R 9 are independently hydrogen, fluorine or C 1-6 alkyl; A is C 6-10 aryl or heteroaryl etc.; r is 1, 2, 3 or 4; E is C 3-8 cycloalkyl or C 6-10 aryl etc.; L is oxygen, sulfur or —NR 10 —; n is 1, 2 or 3; R 10 is hydrogen or C 1-6 alkyl etc.; and X is hydrogen or halogen etc.

  本发明涉及一种新型的血清素再摄取抑制剂，同时还表现出5-HT2C拮抗作用（抗抑郁和抗焦虑效果），特别是包括化合物（1）的5-HT2C逆作动作：或其药学上可接受的盐，其中R1、R2、R3和R4独立地为氢或C1-6烷基等；R5为C4-7烷基或—(CR8R9)r-E；R6、R7、R8和R9独立地为氢、氟或C1-6烷基；A为C6-10芳基或杂环芳基等；r为1、2、3或4；E为C3-8环烷基或C6-10芳基等；L为氧、硫或—NR10—；n为1、2或3；R10为氢或C1-6烷基等；X为氢或卤素等。
• Pyrazole compound
  申请人：Sumitomo Dainippon Pharma Co., Ltd.

  公开号：US10183913B2

  公开（公告）日：2019-01-22

  The present invention relates to a novel serotonin reuptake inhibitor which also exhibits 5-HT2C antagonistic action (antidepressive and anxiolytic effects), in particular, 5-HT2C inverse agonistic action comprising Compound (1): or a pharmaceutically acceptable salt thereof wherein R1, R2, R3 and R4 are independently hydrogen or C1-6 alkyl etc.; R5 is C4-7 alkyl or —(CR8R9)r-E; R6, R7, R8 and R9 are independently hydrogen, fluorine or C1-6 alkyl; A is C6-10 aryl or heteroaryl etc.; r is 1, 2, 3 or 4; E is C3-8 cycloalkyl or C6-10 aryl etc.; L is oxygen, sulfur or —NR10—; n is 1, 2 or 3; R10 is hydrogen or C1-6 alkyl etc.; and X is hydrogen or halogen etc.

  本发明涉及一种新型血清素再摄取抑制剂，它还具有 5-HT2C 拮抗作用（抗抑郁和抗焦虑作用），特别是 5-HT2C 反激动作用，由化合物（1）组成： 或其药学上可接受的盐 其中 R1、R2、R3 和 R4 独立地为氢或 C1-6 烷基等；R5 为 C4-7 烷基或-(CR8R9)r-E；R6、R7、R8 和 R9 独立地为氢、氟或 C1-6 烷基；A 为 C6-10 芳基或杂芳基等。r为 1、2、3 或 4；E 为 C3-8 环烷基或 C6-10 芳基等；L 为氧、硫或-NR10-；n 为 1、2 或 3；R10 为氢或 C1-6 烷基等；X 为氢或卤素等。
• US8569353B2
  申请人：——

  公开号：US8569353B2

  公开（公告）日：2013-10-29
• US8809383B2
  申请人：——

  公开号：US8809383B2

  公开（公告）日：2014-08-19
• US9663472B2
  申请人：——

  公开号：US9663472B2

  公开（公告）日：2017-05-30