(6S,9aS)-6-(4-hydroxy-benzyl)-2-allyl-8-((3-aminobenzo[d]isoxazol-5-yl)methyl)-N-benzyl-4,7-dioxo-2H-hexahydro-pyrazino[2,1-c][1,2,4]triazine-1(6H)-carboxamide | 1145675-68-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (6S,9aS)-6-(4-hydroxy-benzyl)-2-allyl-8-((3-aminobenzo[d]isoxazol-5-yl)methyl)-N-benzyl-4,7-dioxo-2H-hexahydro-pyrazino[2,1-c][1,2,4]triazine-1(6H)-carboxamide
• 英文别名: (6S,9aS)-8-[(3-amino-1,2-benzoxazol-5-yl)methyl]-N-benzyl-6-[(4-hydroxyphenyl)methyl]-4,7-dioxo-2-prop-2-enyl-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide
• CAS: 1145675-68-8
• 化学式: C₃₂H₃₃N₇O₅
• 分子量: 595.658
• InChiKey: RJEBTYSAMLSBJI-XCZPVHLTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  44
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  149
• 氢给体数：
  3
• 氢受体数：
  8

文献信息

• [EN] NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (3)<br/>[FR] NOUVEAUX COMPOSÉS DE STRUCTURES MIMÉTIQUES DE COUDE INVERSE ET LEUR UTILISATION (3)
  申请人：CHOONGWAE PHARMA CORP

  公开号：WO2009051397A9

  公开（公告）日：2010-05-27
• NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (3)
  申请人：Choongwae Pharma Corporation

  公开号：EP2212330A2

  公开（公告）日：2010-08-04
• NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF
  申请人：Chung Jae Uk

  公开号：US20100286094A1

  公开（公告）日：2010-11-11

  Conformationally constrained compounds that are novel and mimic the secondary structure of reverse-turn regions of biologically active peptides and proteins and having bicyclic framework are disclosed, as well as their prodrugs. Such reverse-turn mimetic structures and pro-drugs have utility over a wide range of fields, including use as diagnostic and therapeutic agents. The invention also relates to a use of such compounds for the preparation of a medicament for treating or preventing cancer including an acute myeloid leukemia.
• US7671054B1
  申请人：——

  公开号：US7671054B1

  公开（公告）日：2010-03-02
• US8049008B2
  申请人：——

  公开号：US8049008B2

  公开（公告）日：2011-11-01