rac-(1-methyl-3-oxohydroisobenzofuranyl)methyl [3-(acetylamino)propyl]sulfonate | 1142951-78-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: rac-(1-methyl-3-oxohydroisobenzofuranyl)methyl [3-(acetylamino)propyl]sulfonate
• 英文别名: (1-Methyl-3-oxo-2-benzofuran-1-yl)methyl 3-acetamidopropane-1-sulfonate
• CAS: 1142951-78-7
• 化学式: C₁₅H₁₉NO₆S
• 分子量: 341.385
• InChiKey: CFZCIDAXYKLHPR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  107
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• Internally Masked Neopentyl Sulfonyl Ester Cyclization Release Prodrugs of Acamprosate, Compositions Thereof, and Methods of Use
  申请人：Li Yunxiao

  公开号：US20090099253A1

  公开（公告）日：2009-04-16

  Internally masked neopentyl sulfonyl ester prodrugs of acamprosate, pharmaceutical compositions comprising such prodrugs, and methods of using such prodrugs and compositions thereof for treating diseases are disclosed. In particular, acamprosate prodrugs exhibiting enhanced oral bioavailability and methods of using acamprosate prodrugs to treat neurodegenerative disorders, psychotic disorders, mood disorders, anxiety disorders, somatoform disorders, movement disorders, substance abuse disorders, binge eating disorder, cortical spreading depression related disorders, tinnitus, sleeping disorders, multiple sclerosis, and pain are disclosed.

  内部掩盖的新戊基磺酰酯前药，包含这种前药的药物组合物，以及使用这种前药和组合物治疗疾病的方法被披露。具体来说，披露了展现增强口服生物利用度的阿卡姆普罗酸前药以及使用阿卡姆普罗酸前药治疗神经退行性疾病、精神障碍、情绪障碍、焦虑障碍、躯体形式障碍、运动障碍、物质滥用障碍、暴饮暴食障碍、皮层扩散性抑郁相关障碍、耳鸣、睡眠障碍、多发性硬化症和疼痛的方法。
• [EN] INTERNALLY MASKED NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE<br/>[FR] PROMÉDICAMENTS DE L'ACAMPROSATE À LIBÉRATION PAR CYCLISATION DE NÉOPENTYLSULFONYLESTER À MASQUAGE INTERNE, LEURS COMPOSITIONS ET PROCÉDÉS D'UTILISATION
  申请人：XENOPORT INC

  公开号：WO2009052191A1

  公开（公告）日：2009-04-23

  Internally masked neopentyl sulfonyl ester prodrugs of acamprosate, pharmaceutical compositions comprising such prodrugs, and methods of using such prodrugs and compositions thereof for treating diseases are disclosed. In particular, acamprosate prodrugs exhibiting enhanced oral bioavailability and methods of using acamprosate prodrugs to treat neurodegenerative disorders, psychotic disorders, mood disorders, anxiety disorders, somatoform disorders, movement disorders, substance abuse disorders, binge eating disorder, cortical spreading depression related disorders, tinnitus, sleeping disorders, multiple sclerosis, and pain are disclosed.