[5-amino-2-(5-bromo-furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(2-methyl-pyrrolidin-1-yl)-methanone

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三唑并吡啶类
• 英文名称: [5-amino-2-(5-bromo-furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(2-methyl-pyrrolidin-1-yl)-methanone
• 英文别名: [5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(2-methylpyrrolidin-1-yl)methanone
• 化学式: C₁₆H₁₆BrN₅O₂
• 分子量: 390.239
• InChiKey: YQRUTUAWBZXTFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  89.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2,6-diaminopyridine-4-carboxylic acid methyl ester 在 三甲基铝 、 2,4,6-三甲基苯磺酰羟胺 作用下， 以 1,4-二氧六环 为溶剂， 生成 [5-amino-2-(5-bromo-furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(2-methyl-pyrrolidin-1-yl)-methanone
  参考文献：
  名称：

  Lead Generation: Sowing the Seeds for Future Success

  摘要：

  引导生成和相关的从击中到引导的过程是现代制药研究中的关键战略元素，大多数公司已经实施了这个概念。高效的引导生成是减少药物发现过程中观察到的高流失率的主要尝试之一，重点放在早期开发阶段。引导生成活动在发现组织内的整合程度、评估和实施新化学物质和新技术的灵活性、为了确定最佳化学引导系列的高质量标准最终将决定在发现新药物方面的未来成功。

  DOI：

  10.2533/000942904777677542

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.
• Lead Generation: Sowing the Seeds for Future Success
  作者：Konrad H. Bleicher、Matthias Nettekoven、Jens-Uwe Peters、René Wyler

  DOI：10.2533/000942904777677542

  日期：——

  Lead generation and the associated hit-to-lead process are key strategic elements in modern pharmaceutical research, and most companies have implemented this concept. Efficient lead generation is one of the main attempts to reduce the high attrition rates observed along the drug discovery process by focussing on the early developmental phases. The level of integration of the lead generation activities within the discovery organization, the flexibility in assessing and implementing new chemistries and new technologies, the high-quality standards set for the identification of the best possible chemical lead series will ultimately determine the future success in discovering new medicines.

  引导生成和相关的从击中到引导的过程是现代制药研究中的关键战略元素，大多数公司已经实施了这个概念。高效的引导生成是减少药物发现过程中观察到的高流失率的主要尝试之一，重点放在早期开发阶段。引导生成活动在发现组织内的整合程度、评估和实施新化学物质和新技术的灵活性、为了确定最佳化学引导系列的高质量标准最终将决定在发现新药物方面的未来成功。