(6S,9aS)-8-[[9-(benzenesulfonyl)-5,6,7,8-tetrahydrocarbazol-1-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 | 1145676-37-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: (6S,9aS)-8-[[9-(benzenesulfonyl)-5,6,7,8-tetrahydrocarbazol-1-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: 1145676-37-4
• 化学式: C₄₃H₄₄N₆O₆S
• 分子量: 772.925
• InChiKey: YLHOHDPAPBWXBD-YDAXCOIMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  56
• 可旋转键数：
  10
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  144
• 氢给体数：
  2
• 氢受体数：
  7

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
  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
• US8080657B2
  申请人：——

  公开号：US8080657B2

  公开（公告）日：2011-12-20