2-butoxy-7,8-dihydro-9-[3-fluoro-4-{4-[3-(carboxymethyl)phenoxymethyl]piperidin-1-yl}methylbenzyl]-8-oxoadenine | 930784-91-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 2-butoxy-7,8-dihydro-9-[3-fluoro-4-{4-[3-(carboxymethyl)phenoxymethyl]piperidin-1-yl}methylbenzyl]-8-oxoadenine
• 英文别名: 2-[3-[[1-[[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-2-fluorophenyl]methyl]piperidin-4-yl]methoxy]phenyl]acetic acid
• CAS: 930784-91-1
• 化学式: C₃₁H₃₇FN₆O₅
• 分子量: 592.67
• InChiKey: QURLTENWAXPQMU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  43
• 可旋转键数：
  13
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  143
• 氢给体数：
  3
• 氢受体数：
  10

文献信息

• Novel Adenine Compound
  申请人：Hashimoto Kazuki

  公开号：US20090118263A1

  公开（公告）日：2009-05-07

  An adenine compound represented by the formula (1): (1) [wherein A 1 and A 2 each independently represents an (un)substituted aromatic carbocycle or (un)substituted aromatic heterocycle; L 1 , L 2 , and L 3 each independently represents alkylene or a single bond, provided that any methylene or methine group in L 2 or L 3 may be bonded to the nitrogen atom adjacent to L 2 and L 3 to form a 4- to 7-membered saturated nitrogenous heterocycle; L 4 represents alkylene or a single bond; R 1 represents (un)substituted alkyl, (un)substituted aryl, etc.; R 2 represents hydrogen or (un)substituted alkyl; R 3 represents (un)substituted alkyl, etc.; and X represents oxygen, etc.] or a pharmaceutically acceptable salt of the compound. The compound and salt are useful as a medicine.

  一种腺嘌呤化合物，由式（1）表示：（1）[其中A1和A2分别独立地表示（非）取代芳香族碳环或（非）取代芳香族杂环；L1、L2和L3分别独立地表示烷基或单键，但L2或L3中的任何亚甲基或亚胺基可能与L2和L3相邻的氮原子结合形成4-至7元饱和的氮杂环；L4表示烷基或单键；R1表示（非）取代烷基、（非）取代芳基等；R2表示氢或（非）取代烷基；R3表示（非）取代烷基等；X表示氧等]或该化合物的药物可接受的盐。该化合物和盐可用作药物。
• NOVEL ADENINE COMPOUND
  申请人：Dainippon Sumitomo Pharma Co., Ltd.

  公开号：EP1939202A1

  公开（公告）日：2008-07-02

  An adenine compound useful for a medicament represented by the following formula (1): , wherein A1 and A2 are independently, optionally substituted cyclic aromatic hydrocarbon group or optionally substituted aromatic heterocyclic group; L1, L2 and L3 are independently, alkylene or a single optionally substituted alkylene or a single bond, and any methylene or methyne in L2 or L3 may be bound with N atom adjacent to L2 and L3 to form 4 to 7 membered saturated hetero ring containing N atom; L4 is alkylene or a single bond; R1 is optionally substituted alkyl group, optionally substituted alkenyl group, optionally substituted aryl group, etc.; R2 is hydrogen atom or optionally substituted alkyl group; R3 is optionally substituted alkyl group, etc.; X is oxygen atom, etc.; or its pharmaceutically acceptable salt.

  一种腺嘌呤化合物，可用于下式（1）所代表的药物： 其中 A1 和 A2 独立地为任选取代的环状芳香烃基团或任选取代的芳香杂环基团； L1、L2 和 L3 独立地为亚烷基或单个任选取代的亚烷基或单键，L2 或 L3 中的任何亚甲基或甲基可与 L2 和 L3 相邻的 N 原子结合，形成含有 N 原子的 4 至 7 个成员的饱和杂环； L4 是亚烷基或单键； R1 是任选取代的烷基、任选取代的烯基、任选取代的芳基等； R2 是氢原子或任选取代的烷基； R3 是任选取代的烷基等； X 是氧原子等； 或其药学上可接受的盐。