methyl 4-n-butoxy-2-oxo-3-butenoate | 502164-18-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: methyl 4-n-butoxy-2-oxo-3-butenoate
• 英文别名: methyl 4-butoxy-2-oxo-3-butenate；Methyl 4-butoxy-2-oxo-3-butenate；methyl 4-butoxy-2-oxobut-3-enoate
• CAS: 502164-18-3
• 化学式: C₉H₁₄O₄
• 分子量: 186.208
• InChiKey: MCTYPBRTGNHSSO-UHFFFAOYSA-N

物化性质

• 沸点：
  252.0±32.0 °C(Predicted)
• 密度：
  1.048±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  13
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  盐酸胍 、 methyl 4-n-butoxy-2-oxo-3-butenoate 在 三乙胺 作用下， 以 丙腈 为溶剂， 反应 4.0h， 以60%的产率得到2-氨基-4-嘧啶羧酸甲酯
  参考文献：
  名称：

  NOVEL CYCLIC COMPOUND HAVING PYRIMIDINYLALKYLTHIO GROUP

  摘要：

  公开号：

  EP1864977B1

文献信息

• Novel Cyclic Compound Having Pyrimidinylalkylthio Group
  申请人：Tajima Hisashi

  公开号：US20090291951A1

  公开（公告）日：2009-11-26

  The present invention has its object to study synthesis of novel cyclic compounds having a pyrimidinylalkylthio group and to find pharmacological actions of the compounds. According to the present invention, a compound represented by the formula (1) or a salt thereof is provided. In the formula, the ring X represents: R 1 and R 2 independently represent a hydrogen atom, an alkyl group, an aryl group, an aromatic heterocyclic group or the like; R 3 represents a hydrogen atom, a halogen atom, a hydroxy group, an alkoxy group, an aryloxy group, an alkyl group, an aryl group, an amino group, an alkylamino group or the like; A 1 represents a sulfur atom or the like; and A 2 represents an alkylene group.

  本发明旨在研究具有嘧啶基烷基硫基团的新型环状化合物的合成，并找到这些化合物的药理作用。根据本发明，提供了由式（1）表示的化合物或其盐。其中，环X表示：R1和R2独立地表示氢原子、烷基、芳基、芳香杂环基或类似物；R3表示氢原子、卤原子、羟基、烷氧基、芳氧基、烷基、芳基、氨基、烷基氨基或类似物；A1表示硫原子或类似物；A2表示烷基链。
• Cyclic compound having pyrimidinylalkylthio group
  申请人：Santen Pharmaceutical Co., Ltd.

  公开号：US07906511B2

  公开（公告）日：2011-03-15

  The present invention has its object to study synthesis of novel cyclic compounds having a pyrimidinylalkylthio group and to find pharmacological actions of the compounds. According to the present invention, a compound represented by the formula (1) or a salt thereof is provided. In the formula, the ring X represents: R1 and R2 independently represent a hydrogen atom, an alkyl group, an aryl group, an aromatic heterocyclic group or the like; R3 represents a hydrogen atom, a halogen atom, a hydroxy group, an alkoxy group, an aryloxy group, an alkyl group, an aryl group, an amino group, an alkylamino group or the like; A1 represents a sulfur atom or the like; and A2 represents an alkylene group.

  本发明的目的是研究具有嘧啶基烷基硫基的新型环状化合物的合成，并找到这些化合物的药理作用。根据本发明，提供了由公式（1）表示的化合物或其盐。在公式中，环X表示：R1和R2分别表示氢原子，烷基，芳基，芳香杂环基或类似物；R3表示氢原子，卤原子，羟基，烷氧基，芳氧基，烷基，芳基，氨基，烷基氨基或类似物；A1表示硫原子或类似物；A2表示烷基链。
• Novel cyclic compound having pyrimidinylalkylthio group
  申请人：Tajima Hisashi

  公开号：US20110124646A1

  公开（公告）日：2011-05-26

  A method of treating a disease associated with angiogenesis by administering a therapeutically effective amount of a compound represented by the formula (1) or a salt thereof wherein the ring X represents R 1 and R 2 independently represent a hydrogen atom, an alkyl, an aryl or an aromatic heterocyclic; R 3 represents a hydrogen atom, a halogen atom, a hydroxy, an alkoxy, an aryloxy, an alkyl, an aryl, an amino, an alkylamino, a cycloalkylamino, an arylamino, an alkylcarbonylamino, an arylcarbonylamino, a mercapto, an alkylthio, an arylthio, an alkylsulfinyl or a nonaromatic heterocyclic; A 1 represents a sulfur atom, a sulfinyl or a sulfonyl; and A 2 represents an alkylene.

  通过给予化合物公式（1）或其盐的治疗有效量，治疗与血管生成相关的疾病的方法，其中环X代表R1和R2分别代表氢原子，烷基，芳基或芳香族杂环；R3代表氢原子，卤原子，羟基，烷氧基，芳氧基，烷基，芳基，氨基，烷基氨基，环烷基氨基，芳基氨基，烷基羰基氨基，芳基羰基氨基，巯基，烷硫基，芳硫基，烷基亚磺酰基或非芳香族杂环；A1代表硫原子，亚磺酰基或磺酰基；A2代表烷基。