(5r,8r)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carbaldehyde | 1255306-21-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂螺癸烷衍生物
• 英文名称: (5r,8r)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carbaldehyde
• CAS: 1255306-21-8
• 化学式: C₁₂H₁₅N₃O₃S
• 分子量: 281.335
• InChiKey: KABJRIUCNYBBTR-OTCDBFHCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.93
• 重原子数：
  19.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  72.39
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  3-氨基-1-(2-氟苯基)吡唑 、 (5r,8r)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carbaldehyde 在 titanium(IV) isopropylate 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Discovery and structure–activity relationship of a novel spirocarbamate series of NPY Y5 antagonists

  摘要：

  A novel series of trans-8-aminomethyl-1-oxa-3-azaspiro[4.5] decan-2-one derivatives was identified with potent NPY Y5 antagonist activity. Optimization of the original lead furnished compounds 23p and 23u, which combine sub-nanomolar Y5 activity with metabolic stability, oral bioavailability, brain penetration and strong preclinical profile for development. Both compounds significantly inhibited the food intake induced by a Y5 selective agonist with minimal effective doses of 3 mg/kg po. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.08.041
• 作为产物：
  描述：

  在 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 为溶剂， 生成 (5r,8r)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carbaldehyde
  参考文献：
  名称：

  Discovery and structure–activity relationship of a novel spirocarbamate series of NPY Y5 antagonists

  摘要：

  A novel series of trans-8-aminomethyl-1-oxa-3-azaspiro[4.5] decan-2-one derivatives was identified with potent NPY Y5 antagonist activity. Optimization of the original lead furnished compounds 23p and 23u, which combine sub-nanomolar Y5 activity with metabolic stability, oral bioavailability, brain penetration and strong preclinical profile for development. Both compounds significantly inhibited the food intake induced by a Y5 selective agonist with minimal effective doses of 3 mg/kg po. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.08.041