N-benzo[1,3]dioxol-5-ylmethyl-6-ethoxy-N'-(4-methoxy-phenyl)-N-(5-methyl-furan-2-ylmethyl)-[1,3,5]triazine-2,4-diamine | 1174118-23-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: N-benzo[1,3]dioxol-5-ylmethyl-6-ethoxy-N'-(4-methoxy-phenyl)-N-(5-methyl-furan-2-ylmethyl)-[1,3,5]triazine-2,4-diamine
• 英文别名: 2-N-(1,3-benzodioxol-5-ylmethyl)-6-ethoxy-4-N-(4-methoxyphenyl)-2-N-[(5-methylfuran-2-yl)methyl]-1,3,5-triazine-2,4-diamine
• CAS: 1174118-23-0
• 化学式: C₂₆H₂₇N₅O₅
• 分子量: 489.531
• InChiKey: ASSWSYBSBKFGBZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  36
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  104
• 氢给体数：
  1
• 氢受体数：
  10

文献信息

• Triazines And Related Compounds Having Antiviral Activity, Compositions And Methods Thereof
  申请人：Han Amy Qi

  公开号：US20120009151A1

  公开（公告）日：2012-01-12

  Disclosed herein are novel triazines and related compounds, the synthesis thereof, and compositions, including pharmaceutical compositions, comprising the novel triazines and related compounds. Such novel triazines and related compounds function to inhibit or block entry of viruses of the Flaviviridae family, including Hepatitis C virus (HCV), into cells that are susceptible to virus infection. These compounds are useful for the treatment, therapy and/or prophylaxis of viral diseases and infection, including HCV infection.

  本文披露了新型三嗪及其相关化合物，其合成方法以及包含新型三嗪和相关化合物的组合物，包括药物组合物。这些新型三嗪和相关化合物的功能是抑制或阻止易感染病毒的细胞进入黄病毒科病毒，包括丙型肝炎病毒（HCV）。这些化合物对于治疗、治疗和/或预防病毒性疾病和感染，包括HCV感染，是有用的。
• TRIAZINES AND RELATED COMPOUNDS HAVING ANTIVIRAL ACTIVITY, COMPOSITIONS AND METHODS THEREOF
  申请人：Progenics Pharmaceuticals, Inc.

  公开号：EP2231624A2

  公开（公告）日：2010-09-29
• [EN] TRIAZINES AND RELATED COMPOUNDS HAVING ANTIVIRAL ACTIVITY, COMPOSITIONS AND METHODS THEREOF<br/>[FR] TRIAZINES ET COMPOSÉS ASSOCIÉS PRÉSENTANT UNE ACTIVITÉ ANTIVIRALE, COMPOSITIONS ET PROCÉDÉS ASSOCIÉS
  申请人：PROGENICS PHARM INC

  公开号：WO2009091388A2

  公开（公告）日：2009-07-23

  Disclosed herein are novel triazines and related compounds, the synthesis thereof, and compositions, including pharmaceutical compositions, comprising the novel triazines and related compounds. Such novel triazines and related compounds function to inhibit or block entry of viruses of the Flaviviridae family, including Hepatitis C virus (HCV), into cells that are susceptible to virus infection. These compounds are useful for the treatment, therapy and/or prophylaxis of viral diseases and infection, including HCV infection.