5-Aminomethyl-6-(2,4-dichloro-phenyl)-2-morpholin-4-yl-pyrimidin-4-ylamine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5-Aminomethyl-6-(2,4-dichloro-phenyl)-2-morpholin-4-yl-pyrimidin-4-ylamine
• 英文别名: 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine
• 化学式: C₁₅H₁₇Cl₂N₅O
• 分子量: 354.239
• InChiKey: DVMZLMUFYVFJJH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  90.3
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-[(2,4-二氯苯基)亚甲基]丙二腈 在 lithium aluminium tetrahydride 、 potassium carbonate 、 间氯过氧苯甲酸 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 二氯甲烷 为溶剂， 反应 7.5h， 生成 5-Aminomethyl-6-(2,4-dichloro-phenyl)-2-morpholin-4-yl-pyrimidin-4-ylamine
  参考文献：
  名称：

  An aminomethylpyrimidine DPP-IV inhibitor with improved properties

  摘要：

  A recently identified DPP-IV inhibitor (1) was found to induce phospholipidosis and to inhibit CYP3A4. A small series of less lipophilic and less amphiphilic analogues was synthesized in an effort to overcome these issues. One compound from this series was equipotent to 1, did not induce phospholipidosis and showed a reduced CYP3A4 inhibition. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.048

文献信息

• 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。
• Pyridine and pyrimidine derivatives
  申请人：——

  公开号：US20030216382A1

  公开（公告）日：2003-11-20

  The present invention provides compounds of formula (I) 1 wherein R 1 , R 2 , R 3 , R 4 and X are as defined in the specification, and pharmaceutically acceptable salts thereof. The compounds are useful for the treatment and/or prophylaxis of diseases which are associated with DPP IV, such as diabetes, particularly non-insulin dependent diabetes mellitus, and impaired glucose tolerance.

  本发明提供了化合物的公式（I）1，其中R1、R2、R3、R4和X如规范中所定义，以及其药用盐。这些化合物可用于治疗和/或预防与DPP IV相关的疾病，如糖尿病，特别是非胰岛素依赖型糖尿病和糖耐量受损。
• NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES
  申请人：F. Hoffmann-La Roche AG

  公开号：EP1476435A1

  公开（公告）日：2004-11-17
• US6867205B2
  申请人：——

  公开号：US6867205B2

  公开（公告）日：2005-03-15
• US7022718B2
  申请人：——

  公开号：US7022718B2

  公开（公告）日：2006-04-04