3-amino-N-(5-methyl-3-isoxazolyl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 3-amino-N-(5-methyl-3-isoxazolyl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
• 英文别名: 3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
• 化学式: C₁₉H₁₃F₃N₄O₂S
• mdl: MFCD03856670
• 分子量: 418.4
• InChiKey: USOKJLSXGACNJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  122
• 氢给体数：
  2
• 氢受体数：
  9

文献信息

• [EN] METHODS AND COMPOSITIONS FOR INHIBITING HUMAN COPPER TRAFFICKING PROTEINS ATOX1 AND CCS<br/>[FR] MÉTHODES ET COMPOSITIONS D'INHIBITION DES PROTÉINES ATOX1 ET CCS IMPLIQUÉES DANS LE TRANSFERT DU CUIVRE
  申请人：UNIV CHICAGO

  公开号：WO2014116859A1

  公开（公告）日：2014-07-31

  Compositions and methods concern organic molecules that bind to human Atox1 and CCS at the copper trafficking interface of these proteins. This binding suppresses copper trafficking, which leads to inhibition of cancer cell proliferation and tumor growth. In addition to serving as an effective treatment of cancer, these organic molecules inhibit cellular copper uptake and can be used as treatment of disorders of copper metabolism such as Wilson's disease, which is characterized by copper overload, as well as wound healing.

  这些组合物和方法涉及与人类Atox1和CCS在这些蛋白质的铜转运界面结合的有机分子。这种结合抑制铜转运，导致抑制癌细胞增殖和肿瘤生长。除了作为癌症的有效治疗外，这些有机分子还抑制细胞铜摄取，可用于治疗铜代谢紊乱，如威尔逊病，其特征是铜超载，以及伤口愈合。
• METHODS AND COMPOSITIONS FOR INHIBITING HUMAN COPPER TRAFFICKING PROTEINS ATOX1 AND CCS
  申请人：SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

  公开号：US20160074373A1

  公开（公告）日：2016-03-17

  Compositions and methods concern organic molecules that bind to human Atox1 and CCS at the copper trafficking interface of these proteins. This binding suppresses copper trafficking, which leads to inhibition of cancer cell proliferation and tumor growth. In addition to serving as an effective treatment of cancer, these organic molecules inhibit cellular copper uptake and can be used as treatment of disorders of copper metabolism such as Wilson's disease, which is characterized by copper overload, as well as wound healing.