| 3761-53-3

• 物质功能分类: 生物化工 - 生化试剂 - 生物染料
• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 3761-53-3
• 化学式: C18H14N2Na2O7S2-
• 分子量: 480.4
• InChiKey: SFVWFWCYMAFOJZ-UHFFFAOYSA-L

物化性质

• 熔点：
  >300℃
• 溶解度：
  DMSO（少许）、水（少许）
• 颜色/状态：
  DARK-RED CRYSTALS
• 稳定性/保质期：
  在常温常压下保持稳定，这种物质呈现暗红色至波尔多红色的粉末状。

计算性质

• 辛醇/水分配系数(LogP)：
  0.01
• 重原子数：
  31
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  176
• 氢给体数：
  1
• 氢受体数：
  9

ADMET

代谢

当兔子被喂食时，它们的尿液中含有的颜色有2.5%保持不变，35%为2,4-二甲基苯胺，6%为3-甲基-4-乙酰胺基苯甲酸，3-甲基-4-氨基苯甲酸和2,4-二甲基苯磺酰胺。PONCEAU MX不会被兔子羟基化。

WHEN RABBITS ARE FED THE COLOR THEIR URINE CONTAINS 2.5% UNCHANGED COLOR, 35% 2,4-DIMETHYLANILINE, 6% 3-METHYL-4-ACETAMIDOBENZOIC ACID, 3-METHYL-4-AMINOBENZOIC ACID & 2,4-DIMETHYLPHENYLSULFAMATE. PONCEAU MX IS NOT HYDROXYLATED BY RABBITS.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 致癌性证据

没有关于人类的数据。有充分的证据表明对动物具有致癌性。总体评估：2B组：该物质可能对人类具有致癌性。

No data are available in humans. Sufficient evidence of carcinogenicity in animals. OVERALL EVALUATION: Group 2B: The agent is possibly carcinogenic to humans.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 致癌物分类

国际癌症研究机构致癌剂：ponceau MX

IARC Carcinogenic Agent:Ponceau MX

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：2B组：可能对人类致癌

IARC Carcinogenic Classes:Group 2B: Possibly carcinogenic 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集：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)

毒理性

• 解毒与急救

在处理被阳离子染料污染的眼睛时，急救措施旨在去除尚未与组织发生反应的染料。这包括大量冲洗、机械去除颗粒，如果颜色铅笔嵌入，则可能需要进行手术探查并小心移除颗粒。单宁或单宁酸的溶液能沉淀阳离子染料，使它们基本上无害，但这只能处理尚未与组织发生反应的那部分染料。实验确定，如果在兔子眼睛上撒入粉状碱性染料后的三分钟内应用5%至10%的单宁溶液，基本上具有预防作用，但三分钟后这种处理的有效性会迅速降低。其他形式的化学处理旨在去除结合的和过量的染料。然而，对阳离子染料与体外角膜反应的研究表明，这些染料与组织的结合非常牢固，非常难以从组织中去除…… /阳离子染料/

In treatment of eyes contaminated with cationic dyes, first aid measures are aimed at getting rid of dyes which have not reacted with the tissues. This includes copious irrigation, mechanical removal of particles, and in the case of imbedded colored pencil may necessitate surgical exploration and careful removal of the particles. Solutions of tannin or tannic acid precipitate cationic dyes and render them essentially noninjurious, but this disposes of only that portion of the dye which has not already reacted with the tissues. /It was/ determined experimentally that a 5% to 10% solution of tannin was effective essentially in a prophylactic sense if applied within three minutes following application of powdered basic dyes to the eyes of rabbits, but that the effectiveness of this treatment rapidly diminished after three minutes. Other forms of chemical treatment have been aimed at removing both combined and excess dye. However, studies of the reaction of cationic dyes with cornea in vitro have shown these dyes to bind very tenaciously and to be very difficult to remove from combination with the tissue. ... /Cationic dyes/

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

对大鼠进行口服给药实验的(35)硫标记的ponceau MX显示它会在肝脏中积累。口服给药后，大部分可以在粪便中找到，但是静脉注射后，大部分可以通过尿液排出；在两种情况下，都发现了50%未改变的色素。当...静脉注射到带有插管的胆管的大鼠中时，42%通过胆汁排出。

EXPT WITH ORAL ADMIN TO RATS OF (35)SULFUR LABELLED PONCEAU MX SHOWED THAT IT IS ACCUM IN THE LIVER. AFTER ORAL ADMIN MOST OF IT IS FOUND IN FECES, BUT AFTER IV INJECTION MOST IS EXCRETED IN URINE; IN BOTH CASES, 50% OF UNCHANGED COLOR WAS FOUND. WHEN ... INJECTED IV INTO RATS WITH CANNULATED BILE DUCTS, 42% EXCRETED IN BILE.

来源:Hazardous Substances Data Bank (HSDB)

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S36,S45,S53
• 危险类别码：
  R20/21,R33
• WGK Germany：
  3
• 海关编码：
  32041200
• RTECS号：
  QJ6825000

制备方法与用途

用途：
用于生物染色、组织生化对比染料，以及银的检测与分析。