7-(2-butynyl)-9-cyclopropylmethyl-2-methoxy-6-(piperazin-1-yl)-7,9-dihydropurin-8-one trifluoroacetic acid salt

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 7-(2-butynyl)-9-cyclopropylmethyl-2-methoxy-6-(piperazin-1-yl)-7,9-dihydropurin-8-one trifluoroacetic acid salt
• 英文别名: 7-But-2-ynyl-9-(cyclopropylmethyl)-2-methoxy-6-piperazin-1-ylpurin-8-one;2,2,2-trifluoroacetic acid
• 化学式: C₂HF₃O₂*C₁₈H₂₄N₆O₂
• 分子量: 470.452
• InChiKey: WOXOPLBFCHJPKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.08
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  111
• 氢给体数：
  2
• 氢受体数：
  11

文献信息

• 1,3-Dihydroimidazole ring compound
  申请人：Kira Kazunobu

  公开号：US20060111362A1

  公开（公告）日：2006-05-25

  The objective of this invention is to provide novel compounds that show excellent DPPIV-inhibiting activity. The present invention provides compounds represented by the general formula (I), salts thereof, or hydrates thereof, [wherein, T 1 stands for a monocyclic or bicyclic 4 to 12-membered heterocycle having 1 or 2 nitrogen atoms in the ring, which may have substituents; in formula (I), the following formula represents a double bond or a single bond; X 3 denotes an oxygen atom or a sulfur atom; X 1 denotes a C 2-6 alkyl group which may have substituents; Z 1 denotes a nitrogen atom or the formula —CR 3 ═; Z 2 and Z 3 each independently denote a nitrogen atom, the formula —CR 1 ═, a carbonyl group, or the formula —NR 2 —; R 1 , R 2 , R 3 , and X 2 each independently denote a C 1-6 alkyl group which may have substituents, and such].

  本发明的目的是提供新型化合物，具有出色的DPPIV抑制活性。本发明提供一般式（I）所表示的化合物、其盐或水合物，其中，T1代表一个单环或双环4至12元杂环，环中有1或2个氮原子，可以有取代基；在公式（I）中，以下式表示双键或单键；X3表示氧原子或硫原子；X1表示C2-6烷基，可以有取代基；Z1表示氮原子或式—CR3═；Z2和Z3各自独立地表示氮原子、式—CR1═、羰基或式—NR2—；R1、R2、R3和X2各自独立地表示C1-6烷基，可以有取代基。
• 1,3-DIHYDROIMIDAZOLE FUSED-RING COMPOUND
  申请人：Eisai Co., Ltd.

  公开号：EP1568699A1

  公开（公告）日：2005-08-31

  The objective of this invention is to provide novel compounds that show excellent DPPIV-inhibiting activity. The present invention provides compounds represented by the general formula (I), salts thereof, or hydrates thereof, [wherein, T1 stands for a monocyclic or bicyclic 4 to 12-membered heterocycle having 1 or 2 nitrogen atoms in the ring, which may have substituents; in formula (I), the following formula represents a double bond or a single bond; X3 denotes an oxygen atom or a sulfur atom; X1 denotes a C2-6 alkynyl group which may have substituents; Z1 denotes a nitrogen atom or the formula -CR3=; Z2 and Z3 each independently denote a nitrogen atom, the formula -CR1=, a carbonyl group, or the formula -NR2-; R1, R2, R3, and X2 each independently denote a C1-6 alkyl group which may have substituents, and such].

  本发明的目的是提供具有优异的 DPPIV 抑制活性的新型化合物。本发明提供了通式（I）所代表的化合物、其盐类或其水合物、 其中 T1 代表环中有 1 或 2 个氮原子的单环或双环 4 至 12 元杂环，该杂环可以有取代基；在式（I）中，下式 表示双键或单键；X3 表示氧原子或硫原子；X1 表示可能具有取代基的 C2-6 烷基；Z1 表示氮原子或式-CR3=；Z2 和 Z3 各自独立地表示氮原子、式-CR1=、羰基或式-NR2-；R1、R2、R3 和 X2 各自独立地表示可能具有取代基的 C1-6 烷基，等等]。
• US7524847B2
  申请人：——

  公开号：US7524847B2

  公开（公告）日：2009-04-28