6,7-Bis(3-methoxyphenyl)pteridin-4-ol

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 蝶啶及其衍生物
• 英文名称: 6,7-Bis(3-methoxyphenyl)pteridin-4-ol
• 英文别名: 6,7-bis(3-methoxyphenyl)-3H-pteridin-4-one
• 化学式: C₂₀H₁₆N₄O₃
• 分子量: 360.372
• InChiKey: LBTYBDMWMANGQU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  85.7
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  6,7-Bis(3-methoxyphenyl)pteridin-4-ol 在 三氯氧磷 作用下， 反应 1.0h， 生成 4-Chloro-6,7-bis-(3-methoxy-phenyl)-pteridine
  参考文献：
  名称：

  Parallel synthesis of pteridine derivatives as potent inhibitors for hepatitis C virus NS5B RNA-dependent RNA polymerase

  摘要：

  From compound library screening using an HCV NS5B RNA-dependent RNA polymerase enzymatic assay, we identified a pteridine hit compound with an IC50 of 15 muM. Our SAR studies were focused on the different groups at the 6- and 7-positions. substitutions at the 4-position, and replacement of N-1 or N-3 with carbon in the pteridine ring. We found that NH or OH at 4-position is critical for the inhibitory activity. Furthermore, a hydrophobic substituent at the 4-position may help compounds permeate through the cell membrane. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.11.028
• 作为产物：
  描述：

  3,3'-二甲氧基苯偶酰 、 4,5-二氨基-6-羟基嘧啶 在 sodium acetate 、 溶剂黄146 作用下， 反应 2.0h， 生成 6,7-Bis(3-methoxyphenyl)pteridin-4-ol
  参考文献：
  名称：

  Parallel synthesis of pteridine derivatives as potent inhibitors for hepatitis C virus NS5B RNA-dependent RNA polymerase

  摘要：

  From compound library screening using an HCV NS5B RNA-dependent RNA polymerase enzymatic assay, we identified a pteridine hit compound with an IC50 of 15 muM. Our SAR studies were focused on the different groups at the 6- and 7-positions. substitutions at the 4-position, and replacement of N-1 or N-3 with carbon in the pteridine ring. We found that NH or OH at 4-position is critical for the inhibitory activity. Furthermore, a hydrophobic substituent at the 4-position may help compounds permeate through the cell membrane. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.11.028

文献信息

• NOVEL MODULATORS OF NRF2 AND USES THEREOF
  申请人：TRT PHARMA INC.

  公开号：US20160083388A1

  公开（公告）日：2016-03-24

  There is provided modulators of Nrf2 protein which comprises a compound which binds at least one of the BTB domain, IVR domain and Kelch domain of Keap1 protein, activating or inhibiting Nrf2. There is also provided pharmaceutical compositions containing the modulators, as well as uses and method of use of the modulators for the treatment of conditions.
• US9139592B2
  申请人：——

  公开号：US9139592B2

  公开（公告）日：2015-09-22
• Parallel synthesis of pteridine derivatives as potent inhibitors for hepatitis C virus NS5B RNA-dependent RNA polymerase
  作者：Yili Ding、Jean-Luc Girardet、Kenneth L. Smith、Gary Larson、Brett Prigaro、Vicky C.H. Lai、Weidong Zhong、Jim Z. Wu

  DOI：10.1016/j.bmcl.2004.11.028

  日期：2005.2

  From compound library screening using an HCV NS5B RNA-dependent RNA polymerase enzymatic assay, we identified a pteridine hit compound with an IC50 of 15 muM. Our SAR studies were focused on the different groups at the 6- and 7-positions. substitutions at the 4-position, and replacement of N-1 or N-3 with carbon in the pteridine ring. We found that NH or OH at 4-position is critical for the inhibitory activity. Furthermore, a hydrophobic substituent at the 4-position may help compounds permeate through the cell membrane. (C) 2004 Elsevier Ltd. All rights reserved.