4-Isocyanato-1-methyl-2-(1-methylethoxy)benzene | 769971-55-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-Isocyanato-1-methyl-2-(1-methylethoxy)benzene
• 英文别名: 4-isocyanato-1-methyl-2-propan-2-yloxybenzene
• CAS: 769971-55-3
• 化学式: C₁₁H₁₃NO₂
• 分子量: 191.23
• InChiKey: IDHMMTYABNDEBF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• Antagonist of MCP-1 function, and compositions and methods of use thereof
  申请人：——

  公开号：US20040198719A1

  公开（公告）日：2004-10-07

  Compounds of formula A and formula B: 1 and their pharmaceutically acceptable salts, compositions comprising them, methods for their use, and their use in the preparation of medicaments. The compounds are antagonists of MCP-1 function, and are useful in the prevention and treatment of chronic or acute inflammatory or autoimmune diseases, such as multiple sclerosis, and in the prevention and treatment of allergic hypersensitivity disorders.

  公式A和公式B的化合物及其药学上可接受的盐，包括它们的组合物，使用方法以及它们在药物制备中的应用。这些化合物是MCP-1功能的拮抗剂，可用于预防和治疗慢性或急性炎症或自身免疫性疾病，如多发性硬化症，并用于预防和治疗过敏性过敏反应性疾病。
• US6962926B2
  申请人：——

  公开号：US6962926B2

  公开（公告）日：2005-11-08
• [EN] ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF<br/>[FR] ANTAGONISTES DE LA FONCTION MCP-1 ET LEURS METHODES D'UTILISATION
  申请人：TELIK INC

  公开号：WO2005014600A1

  公开（公告）日：2005-02-17

  Compounds of formula (A) and formula (B): and their pharmaceutically acceptable salts, compositions comprising them, methods for their use, and their use in the preparation of medicaments. The compounds are antagonists of MCP-1 function, and are useful in the prevention and treatment of chronic or acute inflammatory or autoimmune diseases, such as multiple sclerosis, and in the prevention and treatment of allergic hypersensitivity diseases.