5,6-dimethoxy-1,1-dioxo-1-benzothiophen-3-one | 1201944-92-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5,6-dimethoxy-1,1-dioxo-1-benzothiophen-3-one
• CAS: 1201944-92-4
• 化学式: C₁₀H₁₀O₅S
• 分子量: 242.252
• InChiKey: HIMYBFKCFNHEQM-UHFFFAOYSA-N

物化性质

• 沸点：
  503.9±50.0 °C(Predicted)
• 密度：
  1.428±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.67
• 重原子数：
  16.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  69.67
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  二硫化碳 、 5,6-dimethoxy-1,1-dioxo-1-benzothiophen-3-one 、 碘甲烷 在 cesium fluoride 作用下， 以 二甲基亚砜 为溶剂， 生成
  参考文献：
  名称：

  Discovery of the first known small-molecule inhibitors of heme-regulated eukaryotic initiation factor 2α (HRI) kinase

  摘要：

  A series of indeno[1,2-c]pyrazoles were discovered to be the first known inhibitors of heme-regulated eukaryotic initiation factor 2 alpha (HRI) kinase. The synthesis, structure-activity relationship profile, and in-vitro pharmacological characterization of this inaugural series of HRI kinase inhibitors are detailed. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.10.033
• 作为产物：
  描述：

  5,6-dimethoxybenzo[b]thiophen-3(2H)-one 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 以74%的产率得到5,6-dimethoxy-1,1-dioxo-1-benzothiophen-3-one
  参考文献：
  名称：

  Discovery of the first known small-molecule inhibitors of heme-regulated eukaryotic initiation factor 2α (HRI) kinase

  摘要：

  A series of indeno[1,2-c]pyrazoles were discovered to be the first known inhibitors of heme-regulated eukaryotic initiation factor 2 alpha (HRI) kinase. The synthesis, structure-activity relationship profile, and in-vitro pharmacological characterization of this inaugural series of HRI kinase inhibitors are detailed. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.10.033

文献信息

• Discovery of the first known small-molecule inhibitors of heme-regulated eukaryotic initiation factor 2α (HRI) kinase
  作者：Mark D. Rosen、Craig R. Woods、Steven D. Goldberg、Michael D. Hack、A. Dawn Bounds、Young Yang、Pamela C. Wagaman、Victor K. Phuong、Angela P. Ameriks、Terrance D. Barrett、Kimon C. Kanelakis、Jui Chang、Nigel P. Shankley、Michael H. Rabinowitz

  DOI：10.1016/j.bmcl.2009.10.033

  日期：2009.12

  A series of indeno[1,2-c]pyrazoles were discovered to be the first known inhibitors of heme-regulated eukaryotic initiation factor 2 alpha (HRI) kinase. The synthesis, structure-activity relationship profile, and in-vitro pharmacological characterization of this inaugural series of HRI kinase inhibitors are detailed. (C) 2009 Elsevier Ltd. All rights reserved.