(E)-1-(benzo[d][1,3]dioxol-5-yl)-3-(5-(3-chlorophenyl)furan-2-yl)-prop-2-en-1-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: (E)-1-(benzo[d][1,3]dioxol-5-yl)-3-(5-(3-chlorophenyl)furan-2-yl)-prop-2-en-1-one
• 英文别名: (E)-1-(1,3-benzodioxol-5-yl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-en-1-one
• 化学式: C₂₀H₁₃ClO₄
• 分子量: 352.774
• InChiKey: AINFNZMTWKVKKU-FNORWQNLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  48.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (E)-1-(benzo[d][1,3]dioxol-5-yl)-3-(5-(3-chlorophenyl)furan-2-yl)-prop-2-en-1-one 在 sulfur 、 一水合肼 作用下， 以 乙醇 、 水 为溶剂， 反应 2.0h， 以31%的产率得到3-(benzo[d][1,3]dioxol-5-yl)-5-(5-(3-chlorophenyl)furan-2-yl)-1H-pyrazole
  参考文献：
  名称：

  Novel Furan-2-yl-1H-pyrazoles Possess Inhibitory Activity against α-Synuclein Aggregation

  摘要：

  A series of novel furan-2-y1-1H-pyrazoles and their chemical precursors were synthesized and evaluated for their effectiveness at disrupting alpha-synuclein (alpha-syn) aggregation in vitro. The compounds were found to inhibit alpha-syn aggregation with efficacy comparable to the promising drug candidate anle138b. The results of this study indicate that compounds 8b, 8l, and 9f may qualify as secondary leads for the structure-activity relationship studies aimed to identify the suitable compounds for improving the modulatory activity targeted at alpha-syn self-assembly related to Parkinson's disease.

  DOI：

  10.1021/acschemneuro.0c00252
• 作为产物：
  描述：

  5-溴-2-呋喃甲醛 在 哌啶 、 四(三苯基膦)钯 、 potassium carbonate 作用下， 以 乙醇 、 水 、 甲苯 为溶剂， 70.0 ℃ 、1.31 MPa 条件下， 反应 16.0h， 生成 (E)-1-(benzo[d][1,3]dioxol-5-yl)-3-(5-(3-chlorophenyl)furan-2-yl)-prop-2-en-1-one
  参考文献：
  名称：

  Novel Furan-2-yl-1H-pyrazoles Possess Inhibitory Activity against α-Synuclein Aggregation

  摘要：

  A series of novel furan-2-y1-1H-pyrazoles and their chemical precursors were synthesized and evaluated for their effectiveness at disrupting alpha-synuclein (alpha-syn) aggregation in vitro. The compounds were found to inhibit alpha-syn aggregation with efficacy comparable to the promising drug candidate anle138b. The results of this study indicate that compounds 8b, 8l, and 9f may qualify as secondary leads for the structure-activity relationship studies aimed to identify the suitable compounds for improving the modulatory activity targeted at alpha-syn self-assembly related to Parkinson's disease.

  DOI：

  10.1021/acschemneuro.0c00252

文献信息

• Novel Furan-2-yl-1<i>H</i>-pyrazoles Possess Inhibitory Activity against α-Synuclein Aggregation
  作者：Philip Ryan、Mingming Xu、Kousar Jahan、Andrew K. Davey、Prasad V. Bharatam、Shailendra Anoopkumar-Dukie、Michael Kassiou、George D. Mellick、Santosh Rudrawar

  DOI：10.1021/acschemneuro.0c00252

  日期：2020.8.5

  A series of novel furan-2-y1-1H-pyrazoles and their chemical precursors were synthesized and evaluated for their effectiveness at disrupting alpha-synuclein (alpha-syn) aggregation in vitro. The compounds were found to inhibit alpha-syn aggregation with efficacy comparable to the promising drug candidate anle138b. The results of this study indicate that compounds 8b, 8l, and 9f may qualify as secondary leads for the structure-activity relationship studies aimed to identify the suitable compounds for improving the modulatory activity targeted at alpha-syn self-assembly related to Parkinson's disease.