6-(benzo[d]oxazol-2-yl)-2-(2-(dimethylamino)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 6-(benzo[d]oxazol-2-yl)-2-(2-(dimethylamino)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
• 英文别名: 6-(1,3-Benzoxazol-2-yl)-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione；6-(1,3-benzoxazol-2-yl)-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione
• 化学式: C₂₃H₁₉N₃O₃
• 分子量: 385.422
• InChiKey: IVMBVFZCGLUABK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  66.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-溴-1,8-萘二甲酸酐 在 四(三苯基膦)钯 、 copper(II) acetate monohydrate 、 sodium carbonate 作用下， 以 乙醇 、 甲苯 为溶剂， 反应 18.0h， 生成 6-(benzo[d]oxazol-2-yl)-2-(2-(dimethylamino)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
  参考文献：
  名称：

  [EN] BENZO-HETEROCYCLIC COMPOUNDS AND THEIR APPLICATIONS
  [FR] COMPOSÉS BENZO-HÉTÉROCYCLIQUES ET LEURS APPLICATIONS

  摘要：

  本发明涉及具有化学式（I）的苯并噁唑衍生物。本发明的化合物被发现具有降低PD-L1水平的能力，表明本发明的化合物可用于癌症免疫疗法以及用于治疗或预防败血症或脓毒性休克。

  公开号：

  WO2016041511A1

文献信息

• Synthesis of novel C4-benzazole naphthalimide derivatives with potent anti-tumor properties against murine melanoma
  作者：Yen-Ta Lu、Tien-Ling Chen、Kuo-Song Chang、Chia-Ming Chang、Tsai-Yin Wei、Jen-Wei Liu、Chih-Ang Hsiao、Tzenge-Lien Shih

  DOI：10.1016/j.bmc.2016.11.057

  日期：2017.1

  Novel C4-benzazole naphthalimide derivatives were synthesized and tested in vitro and in vivo as anticancer drugs. Among these synthetic molecules, compounds 9 and 10 exhibited cytotoxicity against murine B16F10 melanoma cells. In addition, the above-mentioned compounds significantly suppressed lung tumor metastasis with no visible sign of toxicity. (C) 2016 Elsevier Ltd. All rights reserved.
• EP3194368B1
  申请人：——

  公开号：EP3194368B1

  公开（公告）日：2020-12-23
• BENZO-HETEROCYCLIC COMPOUNDS AND THEIR APPLICATIONS
  申请人：LU YEN-TA

  公开号：US20170283408A1

  公开（公告）日：2017-10-05

  The present invention relates to benzoxazole derivatives having the following Formula (I): The compounds of the present invention are found to possess the ability to decrease PD-L1 level, suggesting that the compounds of the invention can be used in cancer immunotherapy and treatment or prevention of sepsis or septic shock.
• [EN] METHODS AND ANTIBODIES FOR MODULATION OF IMMUNORESPONSE<br/>[FR] MÉTHODES ET ANTICORPS POUR MODULER UNE RÉPONSE IMMUNITAIRE
  申请人：LU YEN-TA

  公开号：WO2016197974A1

  公开（公告）日：2016-12-15

  Provided are an anti-CD11b antibody or an antigen-binding portion thereof, and methods and use of the antibody for modulating immunoresponses by regulating CD11b expression on cells