4-{[(2E)-4-[(2-Methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-[2-(pyrrolidin-1-YL)ethyl]benzamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: 4-{[(2E)-4-[(2-Methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-[2-(pyrrolidin-1-YL)ethyl]benzamide
• 英文别名: 4-[(E)-[4-[(2-methylphenyl)methyl]-3-oxo-1,4-benzothiazin-2-ylidene]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
• 化学式: C₃₀H₃₁N₃O₂S
• 分子量: 497.7
• InChiKey: AHWNHLWJXMMYSR-VFCFBJKWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  36
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  78
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• COMPOSITIONS AND METHODS FOR TREATING ALCOHOL USE DISORDERS, PAIN AND OTHER DISEASES
  申请人：Wu Jay Jie-Qiang

  公开号：US20110301149A1

  公开（公告）日：2011-12-08

  The present invention provides compounds which antagonize epsilon protein kinase C (PKCε). These compounds have a structural formula (Ia), (Ic) or (II). The present invention also provides pharmaceutical compositions containing these compounds and methods of treating various diseases, conditions, and/or symptoms by using these compounds.

  本发明提供了对抗ε蛋白激酶C（PKCε）的化合物。这些化合物具有结构式（Ia）、（Ic）或（II）。本发明还提供了包含这些化合物的药物组合物，并使用这些化合物治疗各种疾病、病症和/或症状的方法。
• US8729081B2
  申请人：——

  公开号：US8729081B2

  公开（公告）日：2014-05-20
• [EN] COMPOSITIONS AND METHODS FOR TREATING ALCOHOL USE DISORDERS, PAIN AND OTHER DISEASES<br/>[FR] COMPOSITIONS ET MÉTHODES POUR TRAITER LES TROUBLES LIÉS À LA CONSOMMATION D'ALCOOL, LA DOULEUR ET D'AUTRES MALADIES
  申请人：VM DISCOVERY INC

  公开号：WO2010042925A2

  公开（公告）日：2010-04-15

  The present invention provides compounds which antagonize epsilon protein kinase C (PKCε). These compounds have a structural formula (Ia), (Ic) or (II). The present invention also provides pharmaceutical compositions containing these compounds and methods of treating various diseases, conditions, and/or symptoms by using these compounds.