6-[2-allyl-1-benzylcarbamoyl-6-(4-hydroxy-benzyl)-4,7-dioxo-octahydro-pyrazino[2,1-c][1,2,4]triazin-8-ylmethyl]-pyridine-2-carboxylic acid | 1145675-16-6

• 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: 6-[2-allyl-1-benzylcarbamoyl-6-(4-hydroxy-benzyl)-4,7-dioxo-octahydro-pyrazino[2,1-c][1,2,4]triazin-8-ylmethyl]-pyridine-2-carboxylic acid
• 英文别名: 6-[[(6S,9aS)-1-(benzylcarbamoyl)-6-[(4-hydroxyphenyl)methyl]-4,7-dioxo-2-prop-2-enyl-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazin-8-yl]methyl]pyridine-2-carboxylic acid
• CAS: 1145675-16-6
• 化学式: C₃₁H₃₂N₆O₆
• 分子量: 584.632
• InChiKey: IHMQNEHWWMSXLU-SVBPBHIXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  43
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  147
• 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：EP2212330B1

  公开（公告）日：2015-04-08
• 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