[6-[3-(2,5-Dimethoxy-4-phenylmethoxyphenyl)prop-2-enoyl]-2,2-dimethyl-5-phenylmethoxy-3,4-dihydrochromen-7-yl] acetate | 90486-66-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: [6-[3-(2,5-Dimethoxy-4-phenylmethoxyphenyl)prop-2-enoyl]-2,2-dimethyl-5-phenylmethoxy-3,4-dihydrochromen-7-yl] acetate
• CAS: 90486-66-1
• 化学式: C₃₈H₃₈O₈
• 分子量: 622.715
• InChiKey: TYWFBYYBJPZKHE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  46
• 可旋转键数：
  13
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  89.5
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  [6-[3-(2,5-Dimethoxy-4-phenylmethoxyphenyl)prop-2-enoyl]-2,2-dimethyl-5-phenylmethoxy-3,4-dihydrochromen-7-yl] acetate 在 palladium on activated charcoal 盐酸 、 thallium(III) nitrate 作用下， 生成 4',5-dihydroxy-2',5'-dimethoxy-2",2"-dimethyldihydropyrano<5",6"-g>isoflavone
  参考文献：
  名称：

  Tsukayama, Masao; Iguchi, Yukihisa; Horie, Tokunaru, Heterocycles, 1984, vol. 22, # 4, p. 709 - 712

  摘要：

  DOI：

文献信息

• [EN] ANTI-VIRAL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF<br/>[FR] COMPOSÉS ANTI-VIRAUX, COMPOSITIONS PHARMACEUTIQUES ET MÉTHODES D'UTILISATION DE CES DERNIERS
  申请人：KINETA INC

  公开号：WO2016073947A1

  公开（公告）日：2016-05-12

  Disclosed herein are compounds and pharmaceutical compositions, and uses thereof for the treatment of viral infections, including RNA viral infections. The compounds, pharmaceutical compositions, and methods disclosed herein can relate to chromenone drug candidate compounds that modulate innate immunity along the RLR-IRF3 axis. These compounds activate innate immune signaling downstream of numerous viral countermeasures and are a unique addition to conventional antiviral compounds in development or on the market. These compounds possess broad spectrum in vitro activity against diverse RNA viruses including the respiratory pathogens influenza, RSV, and hCoV, with EC50 values in the low nanomolar range. Potent in vitro activity is also demonstrated against systemic and emerging viruses including Dengue and Ebola.

  披露了用于治疗病毒感染，包括RNA病毒感染的化合物和药物组合物及其用途。所披露的化合物、药物组合物和方法可能与调节RLR-IRF3轴上先天免疫的色酮类药物候选化合物相关。这些化合物激活了针对多种病毒对策的先天免疫信号传导，并且是对开发中或市场上的传统抗病毒化合物的独特补充。这些化合物在试管中对包括呼吸道病原体流感、呼吸道合胞病毒和人类冠状病毒在内的多种RNA病毒具有广泛的谱系活性，EC50值在低纳摩尔范围内。还展示了针对系统和新兴病毒（包括登革热和埃博拉）的强大试管内活性。