7-methoxy-1-oxo-3,5-dihydro-2H-1lambda4,4-benzothiazepine-4-carboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并硫氮卓类
• 英文名称: 7-methoxy-1-oxo-3,5-dihydro-2H-1lambda4,4-benzothiazepine-4-carboxamide
• 英文别名: 7-methoxy-1-oxo-3,5-dihydro-2H-1λ4,4-benzothiazepine-4-carboxamide
• 化学式: C₁₁H₁₄N₂O₃S
• 分子量: 254.31
• InChiKey: UJHBDKPVZVYBAA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  91.8
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• AGENTS FOR PREVENTING AND TREATING DISORDERS INVOLVING MODULATION OF THE RYANODINE RECEPTORS
  申请人：The Trustees of Columbia University in the City of New York

  公开号：US20140187536A1

  公开（公告）日：2014-07-03

  Methods for reducing toxicity or side effects caused by administration of a rycal compound for repairing ryanodine receptor channel leaks when treating a disorder in a subject caused by such leaks. These methods are based upon the selection for administration of those rycal compounds having properties including an EC 50 value of 102 nM when assayed for its ability to facilitate the rebinding of FKBP12.6 to PKA-phosphorylated RyR2 or less and less than 50% inhibition of the hERG K + channel (I Kr ) when administered at 10 μM to reduce compound toxicity or side effects after administration compared to other rycal compounds not having those properties.