[4-[[(6S,9aS)-8-[[2-(dimethylamino)-4-fluorophenyl]methyl]-1-formyl-2-methyl-4,7-dioxo-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazin-6-yl]methyl]phenyl] dihydrogen phosphite

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: [4-[[(6S,9aS)-8-[[2-(dimethylamino)-4-fluorophenyl]methyl]-1-formyl-2-methyl-4,7-dioxo-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazin-6-yl]methyl]phenyl] dihydrogen phosphite
• 化学式: C₂₄H₂₉FN₅O₆P
• 分子量: 533.5
• InChiKey: ZJRJMCLUHKLZQC-FCHUYYIVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  37
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  117
• 氢给体数：
  2
• 氢受体数：
  9

文献信息

• REVERSE-TURN MIMETICS AND METHOD RELATING THERETO
  申请人：CHOONGWAE PHARMA CORPORATION

  公开号：US20150057283A1

  公开（公告）日：2015-02-26

  Conformationally constrained compounds that mimic the secondary structure of reverse-turn regions of biologically active peptides and proteins are disclosed. Such reverse-turn mimetic structures have utility over a wide range of fields, including use as diagnostic and therapeutic agents. Libraries containing the reverse-turn mimetic structures of this invention are also disclosed as well as methods for screening the same to identify biologically active members. The invention also relates to the use of such compounds for inhibiting or treating disorders modulated by Wnt-signaling pathway, such as cancer, especially colorectal cancer, restenosis associated with angioplasty, polycystic kidney disease, aberrant angiogenesis disease, rheumatoid arthritis disease, tuberous sclerosis complex, Alzheimer's disease, excess hair growth or loss, or ulcerative colitis.

  本发明揭示了构象受限的化合物，其模拟生物活性肽和蛋白质的反转弯区域的二级结构。这种反转弯类似物结构在广泛领域内具有实用性，包括用作诊断和治疗剂。本发明还揭示了包含该反转弯类似物结构的文库，以及筛选这些文库以鉴定生物活性成员的方法。本发明还涉及使用这些化合物来抑制或治疗受Wnt信号通路调节的疾病，如癌症，特别是结直肠癌，与血管成形术相关的再狭窄，多囊肾病，异常血管生成疾病，类风湿性关节炎疾病，结节性硬化症，阿尔茨海默病，过度毛发生长或脱发，或溃疡性结肠炎。
• US8729262B2
  申请人：——

  公开号：US8729262B2

  公开（公告）日：2014-05-20