(2,6-diamino-pyridin-4-yl)-(4-fluoro-phenyl)-methanone | 437707-80-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2,6-diamino-pyridin-4-yl)-(4-fluoro-phenyl)-methanone
• 英文别名: (2,6-diaminopyridin-4-yl)-(4-fluorophenyl)methanone
• CAS: 437707-80-7
• 化学式: C₁₂H₁₀FN₃O
• 分子量: 231.229
• InChiKey: VQFQRJWBHJIBIA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  82
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (2,6-diamino-pyridin-4-yl)-(4-fluoro-phenyl)-methanone 、 N-羟基-2,4,6-三甲基苯磺酰胺 、 2-醛基噻唑 在 H+ 作用下， 生成 (5-Amino-2-thiazol-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-(4-fluoro-phenyl)-methanone
  参考文献：
  名称：

  Substituted [1,2,4]triazolo[1,5a]pyridine derivatives with activity as adenosine receptor ligands

  摘要：

  本文披露了替代的[1,2,4]三唑[1,5a]吡啶衍生物及其在药物上活性的盐，具有作为腺苷受体配体的活性。这些化合物可用于治疗对腺苷受体调节有反应的疾病。

  公开号：

  US06506772B1
• 作为产物：
  描述：

  2,6-bis-acetylamino-N-methoxy-N-methyl-isonicotinamide 、 4-氟苯基溴化镁 在 盐酸 作用下， 以 四氢呋喃 、 甲醇 、 乙酸乙酯 为溶剂， 以131 mg (32%)的产率得到(2,6-diamino-pyridin-4-yl)-(4-fluoro-phenyl)-methanone
  参考文献：
  名称：

  Substituted [1,2,4]triazolo[1,5a]pyridine derivatives with activity as adenosine receptor ligands

  摘要：

  本文介绍了具有腺苷受体配体活性的取代的[1,2,4]三唑并[1,5a]吡啶衍生物及其药物活性盐。这些化合物可用于治疗对腺苷受体调节敏感的疾病。

  公开号：

  US06506772B1

文献信息

• AMINOTRIAZOLOPYRIDIINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP1347974A1

  公开（公告）日：2003-10-01
• US6506772B1
  申请人：——

  公开号：US6506772B1

  公开（公告）日：2003-01-14
• [EN] AMINOTRIAZOLOPYRIDIINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS<br/>[FR] DERIVES D'AMINOTRIAZOLOPYRIDINE EN TANT QUE LIGANDS DU RECEPTEUR D'ADENOSINE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2002048145A1

  公开（公告）日：2002-06-20

  The invention relates to compounds of the general formula (I) wherein R1 is lower alkoxy, cycloalkyl or aryl, unsubstituted or substituted by halogen or lower alkoxy or is NR'R'', wherein R' and R'' are independently from each other hydrogen, lower alkyl, lower alkenyl, lower alkinyl, -(CR¿2?)n-aryl unsubstituted or substituted by one to three substituents, selected from the group, consisting of halogen or lower alkoxy, or are (CH2)n+1NR2, -(CH2)n-pyridinyl, -(CH2)n-indanyl, -(CH2)n-cycloalkyl, -(CH2)n-O-lower alkyl, -(CH2)n-C(O)-NR2, -(CH2)n-CF3, OR R' and R'' are together with the N atom to which they are attached pyrrolidin-1-yl, piperidin-1-yl, 3,4-dihydro-1H-isoquinolin-2-yl, morpholinyl, azatidin-1-yl, 3,6-dihydro-2H-pyridin-1-yl, thiomorpholinyl, 2,5-dihydro-pyrrol-1-yl, thiazolidin-3-yl, piperazinyl, azocan-1-yl, azepan-1-yl, octahydroquinolin-1-yl, octahydroquinolin-2-yl, 1,3,4,9-tetrahydro-b-carbolin-2-yl, which rings may be unsubstituted or substituted by one to three substituents, selected from the group, consisting of lower alkyl, phenyl, benzyl, pyridyl, -C(O)-NR2, -(CH2)n-O-lower alkyl or NR-C(O)-lower alkyl; R?2¿ is aryl or a 5 or 6 membered heteroaryl group, which rings are unsubstituted or substituted by lower alkyl, halogen, hydroxy or lower alkoxy; X is a bond or N(R)CH¿2?-; R is hydrogen or lower alkyl; N is 0,1,2,3,4,5 or 6; and to their pharmaceutically acceptable salts. The compounds have a good affinity to the adenosin receptor and may therefore be used in the treatment of diseases, related to this receptor.
• Substituted &lsqb;1,2,4&rsqb;triazolo&lsqb;1,5a&rsqb;pyridine derivatives with activity as adenosine receptor ligands
  申请人：Hoffmann-La Roche Inc.

  公开号：US06506772B1

  公开（公告）日：2003-01-14

  Substituted [1,2,4]triazolo[1,5a]pyridine derivatives and pharmaceutically active salts thereof with activity as adenosine receptor ligands are disclosed. These compounds are useful for treatment of diseases responsive to modulation of the adenosine receptor.

  本文介绍了具有腺苷受体配体活性的取代的[1,2,4]三唑并[1,5a]吡啶衍生物及其药物活性盐。这些化合物可用于治疗对腺苷受体调节敏感的疾病。