直接蓝 53 | 6968-33-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 直接蓝 53
• 中文别名: 直接蓝53
• 英文名称: Evan's blue
• 英文别名: 1-Amino-7-[[4-[4-[[8-amino-1-hydroxy-7-(hydroxy-oxo-oxoniumylidene-lambda6-sulfanyl)-5-sulfonatonaphthalen-2-yl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-8-hydroxy-4-(hydroxy-oxo-oxoniumylidene-lambda6-sulfanyl)naphthalene-2-sulfonate；1-amino-7-[[4-[4-[[8-amino-1-hydroxy-7-(hydroxy-oxo-oxoniumylidene-λ6-sulfanyl)-5-sulfonatonaphthalen-2-yl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-8-hydroxy-4-(hydroxy-oxo-oxoniumylidene-λ6-sulfanyl)naphthalene-2-sulfonate
• CAS: 6968-33-8
• 化学式: C₃₄H₂₈N₆O₁₄S₄
• 分子量: 872.892
• InChiKey: COXVTLYNGOIATD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  58
• 可旋转键数：
  9
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  393
• 氢给体数：
  8
• 氢受体数：
  20

ADMET

毒理性

• 致癌物分类

国际癌症研究机构致癌剂：伊文思蓝

IARC Carcinogenic Agent:Evans blue

来源:International Agency for Research on Cancer (IARC)

毒理性

• 致癌物分类

国际癌症研究机构（IARC）致癌物分类：第3组：无法归类其对人类致癌性

IARC Carcinogenic Classes:Group 3: Not classifiable as to its carcinogenicity to humans

来源:International Agency for Research on Cancer (IARC)

毒理性

• 致癌物分类

国际癌症研究机构专论：第8卷（1975年）一些芳香偶氮化合物

IARC Monographs:Volume 8: (1975) Some Aromatic Azo Compounds

来源:International Agency for Research on Cancer (IARC)

反应信息

• 作为产物：
  描述：

  1-氨基-8-萘酚-2,4-二磺酸 、 alkaline earth salt of/the/ methylsulfuric acid 在 sodium carbonate 作用下， 生成 直接蓝 53
  参考文献：
  名称：

  Hartwell; Fieser, Organic Syntheses, 1936, vol. 16, p. 12

  摘要：

  DOI：

文献信息

• Hartwell; Fieser, Organic Syntheses, 1936, vol. 16, p. 12
  作者：Hartwell、Fieser

  DOI：——

  日期：——
• CONJUGATES OF BIVALENT EVANS BLUE DYE DERIVATIVES AND METHODS OF USE
  申请人：The United States of America, as represented by The Secretary, Department of Health and Human Services

  公开号：EP3918006A2

  公开（公告）日：2021-12-08
• US8979987B1
  申请人：——

  公开号：US8979987B1

  公开（公告）日：2015-03-17
• [EN] CONJUGATES OF BIVALENT EVANS BLUE DYE DERIVATIVES AND METHODS OF USE<br/>[FR] CONJUGUÉS DE DÉRIVÉS DE COLORANT BLEU D'EVANS BIVALENTS ET PROCÉDÉS D'UTILISATION
  申请人：THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY DEPT OF HEALTH AND HUMAN SERVICES

  公开号：WO2020160222A2

  公开（公告）日：2020-08-06

  A compound of Formula I or a pharmaceutically acceptable ester, amide, solvate, or salt thereof, or a salt of such an ester or amide or a solvate of such an ester amide or salt, Formula (I) is disclosed. Compositions comprising the compound and methods of use are also disclosed.
• [EN] FIBRIN HYDROGELS<br/>[FR] HYDROGELS DE FIBRINE
  申请人：[en]MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH

  公开号：WO2022104128A1

  公开（公告）日：2022-05-19

  This document provides fibrin hydrogels and methods and materials for making and using fibrin hydrogels. For example, this document provides fibrin hydrogels containing trypan blue (TB), Evans blue (EB), and/or one or more isomers thereof. Methods for making and using fibrin hydrogels containing TB, EB, and/or one or more isomers thereof also are provided.