2-methyl-6-(p-hydroxyphenylmethyl)-8-naphthyl-4,7-dioxo-hexahydro-pyrazino[2,1-c][1,2,4]triazine-1-carboxylic acid benzylamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-methyl-6-(p-hydroxyphenylmethyl)-8-naphthyl-4,7-dioxo-hexahydro-pyrazino[2,1-c][1,2,4]triazine-1-carboxylic acid benzylamide
• 英文别名: (6S,9aS)-N-benzyl-6-[(4-hydroxyphenyl)methyl]-2-methyl-8-(naphthalen-1-ylmethyl)-4,7-dioxo-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide
• 化学式: C₃₃H₃₃N₅O₄
• 分子量: 563.656
• InChiKey: ALVCLHBRWRHZIZ-KYJUHHDHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  42
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  96.4
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-methyl-6-(p-hydroxyphenylmethyl)-8-naphthyl-4,7-dioxo-hexahydro-pyrazino[2,1-c][1,2,4]triazine-1-carboxylic acid benzylamide 在 三乙胺 、 三氯氧磷 、 水 、 碳酸氢钠 、 盐酸 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 5.0h， 生成 (6S,9aR)-N-benzyl-8-[[2-chloro-5-[methyl(propan-2-yl)amino]phenyl]methyl]-6-[(4-hydroxyphenyl)methyl]-2-methyl-4,7-dioxo-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide
  参考文献：
  名称：

  [EN] REVERSE-TURN MIMETICS AND METHOD RELATING THERETO
  [FR] MIMETIQUES A ROTATION INVERSE ET PROCEDE ASSOCIE

  摘要：

  公开号：

  WO2005116032A3
• 作为产物：
  描述：

  Fmoc-Tyr(OBut)-OH 、 异氰酸苄酯 在 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 、 哌啶 、 甲酸 、 1-羟基苯并三唑 、 N,N'-二异丙基碳二亚胺 作用下， 以 N-甲基吡咯烷酮 、 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 4.13h， 生成 2-methyl-6-(p-hydroxyphenylmethyl)-8-naphthyl-4,7-dioxo-hexahydro-pyrazino[2,1-c][1,2,4]triazine-1-carboxylic acid benzylamide
  参考文献：
  名称：

  [EN] REVERSE-TURN MIMETICS AND METHOD RELATING THERETO
  [FR] MIMETIQUES A ROTATION INVERSE ET PROCEDE ASSOCIE

  摘要：

  公开号：

  WO2005116032A3

文献信息

• REVERSE-TURN MIMETICS AND METHOD RELATING THERETO
  申请人：Moon Sung Hwan

  公开号：US20100029630A1

  公开（公告）日：2010-02-04

  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.

  本文揭示了具有构象约束的化合物，其模拟生物活性肽和蛋白质的反转区域的二级结构。这种反转区域模拟结构在广泛的领域中具有实用性，包括用作诊断和治疗剂。本发明还揭示了包含这种反转区域模拟结构的文库，以及筛选这些文库以识别具有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由Wnt信号通路调节的疾病，例如癌症，特别是结肠直肠癌，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，过度生长或脱发，或溃疡性结肠炎。
• Reverse-turn mimetics and method relating thereto
  申请人：Moon Hwan Sung

  公开号：US20070021425A1

  公开（公告）日：2007-01-25

  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.

  本发明揭示了能够模拟生物活性肽和蛋白质的反转区域的二级结构的构象限制化合物。这种反转区域拟态结构在广泛的领域中具有实用性，包括用作诊断和治疗剂。本发明还揭示了包含这种反转区域拟态结构的库，以及筛选这些库以识别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由Wnt信号通路调节的疾病，例如癌症，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，过度生发或脱发，或溃疡性结肠炎。
• COMPOSITION FOR INDUCTION OR INHIBITION OF STEM CELL DIFFERENTIATION
  申请人：Oh Se Woong

  公开号：US20090215783A1

  公开（公告）日：2009-08-27

  The present invention relates to composition and methods for inducing or inhibiting differentiation of stem cells. The invention also relates to applications in the treatment of medical conditions, e.g., osteoporosis, bone fracture, bone injuries, myocardiac infarction, cardiomyopathy, degenerative muscle diseases, myopathy, and urinary incontinence.

  本发明涉及诱导或抑制干细胞分化的组合物和方法。本发明还涉及在治疗医疗状况方面的应用，例如骨质疏松症、骨折、骨伤、心肌梗塞、心肌病、退行性肌肉疾病、肌病和尿失禁。
• US7232822B2
  申请人：——

  公开号：US7232822B2

  公开（公告）日：2007-06-19
• US7576084B2
  申请人：——

  公开号：US7576084B2

  公开（公告）日：2009-08-18