1-(3-(trifluoromethyl)phenylsulfonyl)piperidin-4-one O-isoquinolin-3-ylcarbamoyl oxime | 1092464-12-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 1-(3-(trifluoromethyl)phenylsulfonyl)piperidin-4-one O-isoquinolin-3-ylcarbamoyl oxime
• 英文别名: [[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ylidene]amino] N-isoquinolin-3-ylcarbamate
• CAS: 1092464-12-4
• 化学式: C₂₂H₁₉F₃N₄O₄S
• 分子量: 492.478
• InChiKey: MUFFJXLRPKMXFO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  34
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  109
• 氢给体数：
  1
• 氢受体数：
  10

文献信息

• AMIDE COMPOUNDS AND THE USE THEREOF
  申请人：Matsumura Akira

  公开号：US20110190300A1

  公开（公告）日：2011-08-04

  The invention relates to amide compounds of Formula I: (I) and pharmaceutically acceptable salts, prodrugs and solvates thereof, wherein: Y is CO or SOm; Z is each optionally substituted lower alkyl, lower alkenyl, cycloalkyl, aryl, heterocyclyl, etc.; R 1 and R 2 are each independently hydrogen, halogen, cyano, optionally substituted lower alky, optionally substituted cycloalkyl, optionally substituted aryl or optionally substituted heterocyclyl etc. R 3 and R 4 are hydrogen, each optionally substituted lower alkyl, cycloalkyl, aryl or heterocyclyl etc.; X is ═O, optionally substituted lower alkyl, halogen, cyano, nitro etc., n is 0-5, m is 1 or 2 and p is 0-2. The invention is also directed to the use compounds of Formula I to treat, prevent or ameliorate a disorder responsive to the blockade of calcium channels, and particularly N-type calcium channels. Compounds of the present invention are especially useful for treating pain.

  本发明涉及公式I的酰胺化合物：（I）及其药学上可接受的盐，前药和溶剂化物，其中：Y为CO或SOm；Z为每个可选取代的较低烷基，较低烯基，环烷基，芳基，杂环烷基等；R1和R2分别独立地为氢，卤素，氰基，可选取代的较低烷基，可选取代的环烷基，可选取代的芳基或可选取代的杂环烷基等。R3和R4为氢，每个可选取代的较低烷基，环烷基，芳基或杂环烷基等；X为═O，可选取代的较低烷基，卤素，氰基，硝基等，n为0-5，m为1或2，p为0-2。本发明还涉及使用公式I的化合物治疗、预防或改善对钙通道阻滞剂有反应的疾病，特别是N型钙通道。本发明的化合物特别适用于治疗疼痛。