(2S)-2-{[2-(6-Amino-2-butoxy-8-oxo-7,8-dihydro-9H-purin-9-yl) ethyl] amino}butanoic acid | 931117-04-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: (2S)-2-{[2-(6-Amino-2-butoxy-8-oxo-7,8-dihydro-9H-purin-9-yl) ethyl] amino}butanoic acid
• 英文别名: (2S)-2-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethylamino]butanoic acid
• CAS: 931117-04-3
• 化学式: C₁₅H₂₄N₆O₄
• 分子量: 352.393
• InChiKey: JPUUOMLTHLPLQS-VIFPVBQESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.6
• 重原子数：
  25
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  143
• 氢给体数：
  4
• 氢受体数：
  8

文献信息

• NOVEL ADENINE COMPOUND
  申请人：Millichip Ian

  公开号：US20090099216A1

  公开（公告）日：2009-04-16

  A novel adenine compound represented by the formula (1): wherein Z represents (un)substituted alkylene, a single bond, etc.; R 1 represents an (un)substituted alkyl, alkenyl, alkynyl, cycloalkyl, aryl, or heteroaryl group; R 2 represents hydrogen or (un)substituted alkyl; R 3 , R 4 and R 5 each independently represents an (un)substituted alkyl, alkenyl, alkynyl, aryl, or heteroaryl group, provided that R 3 and R 5 may be bonded to each other to form a 3- to 7-membered, saturated carbocycle or heterocycle in cooperation with the adjacent carbon atom; and X represents oxygen, sulfur, SO 2 , NR 6 (R 6 represents hydrogen or alkyl), or a single bond, or a pharmaceutically acceptable salt of the compound. The compound and salt are useful as a medicine.

  一种新型腺嘌呤化合物，由公式（1）表示：其中Z代表（未）取代的烷基，单键等；R1代表（未）取代的烷基，烯基，炔基，环烷基，芳基或杂环芳基；R2代表氢或（未）取代的烷基；R3、R4和R5各自独立地表示（未）取代的烷基，烯基，炔基，芳基或杂环芳基，但R3和R5可以与相邻的碳原子合作形成3-至7-环的饱和碳环或杂环；X代表氧，硫，SO2，NR6（R6代表氢或烷基）或单键，或化合物的药学上可接受的盐。该化合物和盐可用作药物。