4,6-二氯-5-乙氧基嘧啶 | 5018-39-3

• 物质功能分类: 医药中间体 - 杂环化合物 - 嘧啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 4,6-二氯-5-乙氧基嘧啶
• 英文名称: 4.6-Dichlor-5-aethoxy-pyrimidin
• 英文别名: 4,6-dichloro-5-ethoxy-pyrimidine；4,6-Dichloro-5-ethoxypyrimidine
• CAS: 5018-39-3
• 化学式: C₆H₆Cl₂N₂O
• 分子量: 193.032
• InChiKey: MPEUOPDXDIBWED-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  35
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-羟基哌啶-1-甲酸异丙酯 、 4,6-二氯-5-乙氧基嘧啶 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Discovery of a second generation agonist of the orphan G-protein coupled receptor GPR119 with an improved profile

  摘要：

  The design and synthesis of a second generation GPR119-agonist clinical candidate for the treatment of diabetes is described. Compound 16 (APD597, JNJ-38431055) was selected for preclinical development based on a good balance between agonist potency, intrinsic activity and in particular on its good solubility and reduced drug-drug interaction potential. In addition, extensive in vivo studies showed a more favorable metabolic profile that may avoid the generation of long lasting metabolites with the potential to accumulate in clinical studies. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.12.092

文献信息

• Discovery of a second generation agonist of the orphan G-protein coupled receptor GPR119 with an improved profile
  作者：Graeme Semple、Juerg Lehmann、Amy Wong、Albert Ren、Marc Bruce、Young-Jun Shin、Carleton R. Sage、Michael Morgan、Wei-Chao Chen、Kristen Sebring、Zhi-Liang Chu、James N. Leonard、Hussein Al-Shamma、Andrew J. Grottick、Fuyong Du、Yin Liang、Keith Demarest、Robert M. Jones

  DOI：10.1016/j.bmcl.2011.12.092

  日期：2012.2

  The design and synthesis of a second generation GPR119-agonist clinical candidate for the treatment of diabetes is described. Compound 16 (APD597, JNJ-38431055) was selected for preclinical development based on a good balance between agonist potency, intrinsic activity and in particular on its good solubility and reduced drug-drug interaction potential. In addition, extensive in vivo studies showed a more favorable metabolic profile that may avoid the generation of long lasting metabolites with the potential to accumulate in clinical studies. (C) 2012 Elsevier Ltd. All rights reserved.