Methyl [1-(2-furoyl)piperidin-4-YL]acetate | 952934-82-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: Methyl [1-(2-furoyl)piperidin-4-YL]acetate
• 英文别名: methyl 2-[1-(furan-2-carbonyl)piperidin-4-yl]acetate
• CAS: 952934-82-6
• 化学式: C₁₃H₁₇NO₄
• mdl: MFCD13248772
• 分子量: 251.282
• InChiKey: TWBMZGYYTRXQJL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  59.8
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  Methyl [1-(2-furoyl)piperidin-4-YL]acetate 在 吡啶 、 亚磷酸三苯酯 、 水 、 lithium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 0.17h， 生成
  参考文献：
  名称：

  Synthesis and evaluation of quinazolin-4-ones as hypoxia-inducible factor-1α inhibitors

  摘要：

  Quinazolin-4-one 1 was identified as an inhibitor of the HIF-1 alpha transcriptional factor from a high-throughput screen. HIF-1 alpha up-regulation is common in many cancer cells. In this Letter, we describe an efficient one-pot sequential reaction for the synthesis of quinazolin-4-one 1 analogues. The structure-activity relationship (SAR) study led to the 5-fold more potent analogue, 16. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2011.07.043
• 作为产物：
  描述：

  呋喃甲酰氯 、 4-派啶乙酸甲酯 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 Methyl [1-(2-furoyl)piperidin-4-YL]acetate
  参考文献：
  名称：

  Synthesis and evaluation of quinazolin-4-ones as hypoxia-inducible factor-1α inhibitors

  摘要：

  Quinazolin-4-one 1 was identified as an inhibitor of the HIF-1 alpha transcriptional factor from a high-throughput screen. HIF-1 alpha up-regulation is common in many cancer cells. In this Letter, we describe an efficient one-pot sequential reaction for the synthesis of quinazolin-4-one 1 analogues. The structure-activity relationship (SAR) study led to the 5-fold more potent analogue, 16. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2011.07.043

文献信息

• Synthesis and evaluation of quinazolin-4-ones as hypoxia-inducible factor-1α inhibitors
  作者：Wenwei Huang、Ruili Huang、Matias S. Attene-Ramos、Srilatha Sakamuru、Erika E. Englund、James Inglese、Christopher P. Austin、Menghang Xia

  DOI：10.1016/j.bmcl.2011.07.043

  日期：2011.9

  Quinazolin-4-one 1 was identified as an inhibitor of the HIF-1 alpha transcriptional factor from a high-throughput screen. HIF-1 alpha up-regulation is common in many cancer cells. In this Letter, we describe an efficient one-pot sequential reaction for the synthesis of quinazolin-4-one 1 analogues. The structure-activity relationship (SAR) study led to the 5-fold more potent analogue, 16. Published by Elsevier Ltd.