3-(5,8-dimethoxy-1,4-dioxonaphthalene-2-ylthio)propanoic acid | 1227401-27-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3-(5,8-dimethoxy-1,4-dioxonaphthalene-2-ylthio)propanoic acid
• 英文别名: GN25；3-(5,8-dimethoxy-1,4-dioxo-1,4-dihydronaphthalene-2-ylthio)propanoic acid；3-(5,8-Dimethoxy-1,4-dioxonaphthalen-2-yl)sulfanylpropanoic acid
• CAS: 1227401-27-5
• 化学式: C₁₅H₁₄O₆S
• 分子量: 322.339
• InChiKey: DIIRLGMLDOPLPV-UHFFFAOYSA-N

物化性质

• 沸点：
  608.4±55.0 °C(Predicted)
• 密度：
  1.42±0.1 g/cm3(Predicted)
• 溶解度：
  乙醇中≤0.25mg/ml；DMSO 中≤5mg/ml；二甲基甲酰胺中≤10mg/ml

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  115
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  N-苯基哌嗪 、 3-(5,8-dimethoxy-1,4-dioxonaphthalene-2-ylthio)propanoic acid 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 盐酸 作用下， 以 氯仿 、 水 为溶剂， 反应 0.05h， 以73.5%的产率得到5,8-dimethoxy-2-(3-oxo-3-(4-phenylpiperazin-1-yl)propylthio)naphthalene-1,4-dione
  参考文献：
  名称：

  CHEMICAL INHIBITOR OF P53-SNAIL BINDING AND PHARMACEUTICAL COMPOSITION FOR TREATING CANCER DISEASE CONTAINING SAME AS ITS ACTIVE INGREDIENT

  摘要：

  提供了用于抑制蜗牛蛋白（Snail）与p53结合的化合物，以及作为有效成分的治疗癌症的药物。蜗牛蛋白（Snail）-p53结合抑制剂诱导K-Ras突变细胞系中p53的表达，从而实现对K-Ras突变癌症（如胰腺癌、肺癌、胆管癌和结肠癌）的有效治疗或预防，其中的诊断或治疗并不容易。

  公开号：

  US20120015960A1

文献信息

• NEW COMPOUND FOR INHIBITING BINDING BETWEEN DX2 PROTEIN AND P14/ARF PROTEIN, AND PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING CANCER DISEASE CONTAINING SAME AS EFFECTIVE INGREDIENT
  申请人：PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION

  公开号：US20170129904A1

  公开（公告）日：2017-05-11

  Disclosed is a new compound that inhibits binding between a DX2 protein and a p14/ARF protein, a pharmaceutical composition including the new compound as an effective component for treating or preventing a cancer disease, an anticancer adjuvant for improving an anticancer effect of a drug-resistant anticancer drug, and a composition including an AIMP2-DX2 protein or a fragment thereof for diagnosing lung cancer.

  披露了一种新化合物，该化合物抑制了DX2蛋白与p14/ARF蛋白之间的结合，包括该新化合物作为治疗或预防癌症疾病的有效成分的药物组合物，用于提高耐药抗癌药物的抗癌效果的抗癌辅助剂，以及包括AIMP2-DX2蛋白或其片段的组合物，用于诊断肺癌。
• COMPOUND FOR INHIBITING SNAIL-P53 BINDING AND THERAPEUTIC AGENT FOR CANCER INCLUDING THE COMPOUND AS EFFECTIVE COMPONENT
  申请人：THE INDUSTRY & ACADEMIC COOPERATION IN CHUNGNAM NATIONAL UNIVERSITY

  公开号：US20140147866A1

  公开（公告）日：2014-05-29

  Provided are compounds for inhibiting Snail-p53 binding and therapeutic agents for cancer including the compounds as an effective component. The Snail-p53 binding inhibitors induce expression of p53 in K-Ras mutant cell lines, thereby enabling effective treatment or prevention of K-Ras mutant cancer, such as, pancreatic cancer, lung cancer, cholangioma, and colon cancer, of which diagnosis or treatment is not easy.

  提供了抑制蜗牛-p53结合的化合物以及包括该化合物作为有效成分的治疗癌症的药物。这些蜗牛-p53结合抑制剂能够在K-Ras突变细胞系中诱导p53的表达，从而使K-Ras突变癌症如胰腺癌、肺癌、胆管癌和结肠癌的治疗或预防变得更加有效，这些癌症的诊断或治疗并不容易。
• Compound for inhibiting binding between DX2 protein and P14/ARF protein, and pharmaceutical composition for treating or preventing cancer disease containing same as effective ingredient
  申请人：PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION

  公开号：US10072021B2

  公开（公告）日：2018-09-11

  Disclosed is a new compound that inhibits binding between a DX2 protein and a p14/ARF protein, a pharmaceutical composition including the new compound as an effective component for treating or preventing a cancer disease, an anticancer adjuvant for improving an anticancer effect of a drug-resistant anticancer drug, and a composition including an AIMP2-DX2 protein or a fragment thereof for diagnosing lung cancer.

  公开了一种抑制 DX2 蛋白和 p14/ARF 蛋白之间结合的新化合物、一种包括新化合物作为有效成分用于治疗或预防癌症疾病的药物组合物、一种用于改善耐药抗癌药物抗癌效果的抗癌辅助剂，以及一种包括 AIMP2-DX2 蛋白或其片段用于诊断肺癌的组合物。
• Compound for inhibiting binding between DX2 protein and p14/ARF protein, and pharmaceutical composition for treating or preventing cancer disease containing same as effective ingredient
  申请人：PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION

  公开号：US10280178B2

  公开（公告）日：2019-05-07

  Disclosed is a new compound that inhibits binding between a DX2 protein and a p14/ARF protein, a pharmaceutical composition including the new compound as an effective component for treating or preventing a cancer disease, an anticancer adjuvant for improving an anticancer effect of a drug-resistant anticancer drug, and a composition including an AIMP2-DX2 protein or a fragment thereof for diagnosing lung cancer.

  公开了一种抑制 DX2 蛋白和 p14/ARF 蛋白之间结合的新化合物、一种包括新化合物作为有效成分用于治疗或预防癌症疾病的药物组合物、一种用于改善耐药抗癌药物抗癌效果的抗癌辅助剂，以及一种包括 AIMP2-DX2 蛋白或其片段用于诊断肺癌的组合物。
• EP2377849
  申请人：——

  公开号：——

  公开（公告）日：——