2-(2-aminopyridin-4-ylmethylthio)-N-(tert-butoxycarbonylmethyl)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(2-aminopyridin-4-ylmethylthio)-N-(tert-butoxycarbonylmethyl)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
• 英文别名: tert-butyl 2-(N-[2-[(2-aminopyridin-4-yl)methylsulfanyl]pyridine-3-carbonyl]-3,5-dimethylanilino)acetate
• 化学式: C₂₆H₃₀N₄O₃S
• 分子量: 478.615
• InChiKey: IXBGMMSTTCBVOO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  34
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  124
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-(2-aminopyridin-4-ylmethylthio)-N-(tert-butoxycarbonylmethyl)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide 在 盐酸 作用下， 以 乙酸乙酯 为溶剂， 反应 18.0h， 以86%的产率得到2-(2-aminopyridin-4-ylmethylthio)-N-carboxymethyl-N-(3,5-dimethylphenyl)pyridine-3-carboxamide monohydrochloride
  参考文献：
  名称：

  NOVEL CYCLIC COMPOUND HAVING 4-PYRIDYLALKYLTHIO GROUP HAVING (UN)SUBSTITUTED AMINO INTRODUCED THEREIN

  摘要：

  公开号：

  EP1717229B1
• 作为产物：
  描述：

  溴乙酸叔丁酯 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.58h， 以69%的产率得到2-(2-aminopyridin-4-ylmethylthio)-N-(tert-butoxycarbonylmethyl)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
  参考文献：
  名称：

  NOVEL CYCLIC COMPOUND HAVING 4-PYRIDYLALKYLTHIO GROUP HAVING (UN)SUBSTITUTED AMINO INTRODUCED THEREIN

  摘要：

  公开号：

  EP1717229B1

文献信息

• Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein
  申请人：Honda Takahiro

  公开号：US20070149574A1

  公开（公告）日：2007-06-28

  A novel cyclic compound having a 4-pyridylalkylthio group having an (un)substituted amino group introduced therein or a salt thereof. They are useful as a medicine. The cyclic compound is a compound represented by the following formula (1), which is useful for the treatment of diseases in which angiogenesis participates. In the following formula (1), ring A represents a benzene ring or a 5- or 6-membered aromatic heterocycle optionally fused with a cycloalkane ring; B represents alkylene; R 1 and R 2 each represents H, (substituted) aryl, (substituted) heterocyclic group, etc.; R 3 and R 4 each represents H, (substituted) alkyl, (substituted) cycloalkyl, -Z-R 5 , etc.; R 5 represents (substituted) alkyl, (substituted) aryl, (substituted) heterocyclic group, etc.; X and Y each represents H, etc.; Z represents —CO—, —COO—, —CONR 6 —, —SO 2 —, etc.; R 6 represents H, etc.; p is 0, 1, or 2; and q is 0 or 1.

  一种具有4-吡啶基烷基硫基团的新型环状化合物，其中引入了（未）取代氨基或其盐。它们可用作药物。环状化合物是由以下式（1）表示的化合物，可用于治疗参与血管生成的疾病。在下式（1）中，环A表示苯环或5-或6-成员芳香杂环，可选择地与环烷环融合；B表示烷基；R1和R2各表示H，（取代）芳基，（取代）杂环基等；R3和R4各表示H，（取代）烷基，（取代）环烷基，-Z-R5等；R5表示（取代）烷基，（取代）芳基，（取代）杂环基等；X和Y各表示H等；Z表示-CO-，-COO-，-CONR6-，-SO2-等；R6表示H等；p为0、1或2；q为0或1。
• Cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein
  申请人：Santen Pharmaceutical Co., Ltd.

  公开号：US07544703B2

  公开（公告）日：2009-06-09

  A novel cyclic compound having a 4-pyridylalkylthio group having an (un)substituted amino group introduced therein or a salt thereof. They are useful as a medicine. The cyclic compound is a compound represented by the following formula (1), which is useful for the treatment of diseases in which angiogenesis participates. In the following formula (1), ring A represents a benzene ring or a 5- or 6-membered aromatic heterocycle optionally fused with a cycloalkane ring; B represents alkylene; R1 and R2 each represents H, (substituted) aryl, (substituted) heterocyclic group, etc.; R3 and R4 each represents H, (substituted) alkyl, (substituted) cycloalkyl, -Z-R5, etc.; R5 represents (substituted) alkyl, (substituted) aryl, (substituted) heterocyclic group, etc.; X and Y each represents H, etc.; Z represents —CO—, —COO—, —CONR6—, —SO2—, etc.; R6 represents H, etc.; p is 0, 1, or 2; and q is 0 or 1.

  一种新型环状化合物，具有4-吡啶基烷基硫基团，其中引入了（未）取代氨基或其盐。它们可用作药物。该环状化合物是由以下式（1）表示的化合物，对参与血管生成的疾病的治疗有用。在以下式（1）中，环A表示苯环或可选地与环烷环融合的5或6成员芳香杂环；B表示烷基；R1和R2各表示H，（取代）芳基，（取代）杂环基等；R3和R4各表示H，（取代）烷基，（取代）环烷基，-Z-R5等；R5表示（取代）烷基，（取代）芳基，（取代）杂环基等；X和Y各表示H等；Z表示—CO—，—COO—，—CONR6—，—SO2—等；R6表示H等；p为0、1或2；q为0或1。
• US7544703B2
  申请人：——

  公开号：US7544703B2

  公开（公告）日：2009-06-09
• NOVEL CYCLIC COMPOUND HAVING 4-PYRIDYLALKYLTHIO GROUP HAVING (UN)SUBSTITUTED AMINO INTRODUCED THEREIN
  申请人：SANTEN PHARMACEUTICAL CO., LTD.

  公开号：EP1717229B1

  公开（公告）日：2011-06-15