(6S,9S)-2-allyl-N-benzyl-6-(4-hydroxybenzyl)-9-methyl-4,7-dioxo-8-(quinolin-8-ylmethyl)octahydro-1H-pyrazino[2,1-c][1,2,4]triazine-1-carboxamide | 1198780-44-7

• 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,9S)-2-allyl-N-benzyl-6-(4-hydroxybenzyl)-9-methyl-4,7-dioxo-8-(quinolin-8-ylmethyl)octahydro-1H-pyrazino[2,1-c][1,2,4]triazine-1-carboxamide
• 英文别名: (6S,9S)-N-benzyl-6-[(4-hydroxyphenyl)methyl]-9-methyl-4,7-dioxo-2-prop-2-enyl-8-(quinolin-8-ylmethyl)-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide
• CAS: 1198780-44-7
• 化学式: C₃₅H₃₆N₆O₄
• 分子量: 604.709
• InChiKey: XVOPGJJOKOQCAE-NITICBCQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  45
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• ALPHA HELIX MIMETICS AND METHODS RELATING THERETO
  申请人：Odagami Takenao

  公开号：US20110092459A1

  公开（公告）日：2011-04-21

  Alpha-helix mimetic structures and compounds represented by the formula (I) wherein the general formula and the definition of each symbol are as defined in the specification, a compound relating thereto, and methods relating thereto, are disclosed. Applications of these compounds in the treatment of medical conditions, e.g., cancer diseases, fibrotic diseases, and pharmaceutical compositions comprising the mimetics are further disclosed.

  本文公开了代表式（I）所表示的α-螺旋类似物结构和化合物，其中一般公式和每个符号的定义如规范中所定义，涉及该化合物的方法以及与之相关的应用，包括用于治疗医学状况的化合物，例如癌症疾病、纤维病等，以及包括这些类似物的制药组合物。
• Alpha helix mimetics and methods relating thereto
  申请人：Prism Biolab Corporation

  公开号：EP2650295A1

  公开（公告）日：2013-10-16

  Alpha-helix mimetic structures and compounds represented by the formula (I) wherein the general formula and the definition of each symbol are as defined in the specification, a compound relating thereto, and methods relating thereto, are disclosed. Applications of these compounds in the treatment of medical conditions, e.g., cancer diseases, fibrotic diseases, and pharmaceutical compositions comprising the mimetics are further disclosed.

  本发明公开了由式（I）表示的α-螺旋拟态结构和化合物（其中通式和各符号的定义如说明书中所定义）、与之相关的化合物以及与之相关的方法。进一步公开了这些化合物在治疗医学病症（如癌症疾病、纤维化疾病）中的应用，以及包含该拟态化合物的药物组合物。
• PREVENTION OR TREATMENT AGENT FOR HEPATIC FIBROSIS
  申请人：Prism Pharma Co., Ltd.

  公开号：EP2932977A1

  公开（公告）日：2015-10-21

  CBP/β-catenin inhibitor shows a superior defibrosing effect for Cre/loxP/HCV-MxCre transgenic mouse which is an animal experiment model of hepatic fibrosis, and useful as a prophylactic or therapeutic drug for hepatic fibrosis.

  CBP/β-catenin 抑制剂对 Cre/loxP/HCV-MxCre 转基因小鼠（一种肝纤维化动物实验模型）具有卓越的去纤维化效果，可作为肝纤维化的预防或治疗药物。
• Prevention or treatment agent for hepatic fibrosis
  申请人：PRISM Pharma Co., Ltd.

  公开号：US10265331B2

  公开（公告）日：2019-04-23

  CBP/β-catenin inhibitor shows a superior defibrosing effect for Cre/loxP/HCV-MxCre transgenic mouse which is an animal experiment model of hepatic fibrosis, and useful as a prophylactic or therapeutic drug for hepatic fibrosis.

  CBP/β-catenin 抑制剂对 Cre/loxP/HCV-MxCre 转基因小鼠（一种肝纤维化动物实验模型）具有卓越的去纤维化效果，可作为肝纤维化的预防或治疗药物。
• EP2908821A1
  申请人：——

  公开号：EP2908821A1

  公开（公告）日：2015-08-26