3-chloro-4-[5-fluoro-7-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidin-4-yl]oxy-N,N-dimethylbenzamide | 1236282-14-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-chloro-4-[5-fluoro-7-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidin-4-yl]oxy-N,N-dimethylbenzamide
• CAS: 1236282-14-6
• 化学式: C₂₅H₂₇ClFN₇O₃
• 分子量: 527.986
• InChiKey: LBBAMVPEJRSBDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  102
• 氢给体数：
  0
• 氢受体数：
  9

文献信息

• NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND
  申请人：Tsuboi Yasunori

  公开号：US20120016119A1

  公开（公告）日：2012-01-19

  Disclosed is a novel pyrrolo[2,3-d]pyrimidine compound represented by formula [I] or a pharmacologically acceptable salt thereof, which has a GPR119 receptor agonistic activity and is useful for a pharmaceutical. In formula [I], E represents a group represented by formula: —NH—, or the like; ring A represents a 6-membered aromatic ring which may contain 1 to 2 nitrogen atoms as heteroatoms (the aromatic ring may be substituted by a halogen atom, a group represented by formula: —CONR a R b , or the like; R a and R b are the same or different and independently represent hydrogen, alkyl, hydroxyalkyl, or the like); R 1 represents an acyl group or the like; and R 2 represents a halogen atom or a cyano group.

  本发明公开了一种新型吡咯并[2,3-d]嘧啶化合物，其化学式为[I]或其药学上可接受的盐，具有GPR119受体激动活性，可用于制药。在式[I]中，E代表化学式表示的基团：—NH—或类似基团；环A代表一个6元芳环，其中可含有1至2个氮原子作为杂原子（芳环可被卤素原子、化学式表示的基团：—CONRaRb或类似基团取代；Ra和Rb相同或不同且独立地代表氢、烷基、羟基烷基或类似基团）；R1代表酰基基团或类似基团；R2代表卤素原子或氰基。