Indoblack GR | 7518-68-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: Indoblack GR
• 英文别名: 4-amino-3,6-bis[[4-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid
• CAS: 7518-68-5
• 化学式: C₃₄H₂₉N₁₃O₇S₂
• 分子量: 795.8
• InChiKey: YILRCDLYJGTFTH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  56
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  375
• 氢给体数：
  8
• 氢受体数：
  20

ADMET

毒理性

• 非人类毒性摘录

在兔眼测试中未造成损害。

...NOT DAMAGING IN RABBIT EYE TEST.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 非人类毒性摘录

分散红54、直接红81和直接黑19:1的苯胺衍生物偶氮染料的致突变活性在体外大鼠肝细胞培养的DNA修复分析中进行了研究。肝细胞被分离、培养并处理偶氮染料、溴脱氧尿苷和(3)H胞苷。DNA修复合成通过使用溴脱氧尿苷密度偏移法将(3H)胞苷并入未复制的DNA链来确定。在3种偶氮染料中，只有直接红54（单一偶氮染料）在大鼠肝细胞体外诱导了较弱的DNA修复合成。直接红81和直接黑19:1没有诱导任何与浓度相关的DNA修复合成。这些偶氮染料的致突变性需要它们在体内还原。

The genotoxic activity of the benzeneamine-derived azo dyes, Disperse Red 54, Direct Red 81 and Direct Black 19:1 was studied in the in vitro DNA repair assay in primary rat hepatocyte cultures. Hepatocytes were isolated, cultured and treated with the azo dyes, bromodeoxyuridine and (3)H cytidine. DNA repair synthesis was determined as an incorporation of (3H) cytidine into unreplicated DNA strands using the bromodeoxyuridine density-shift method. Of the 3 azo dyes, only Direct Red 54 (monoazo dye) induced a weak DNA repair synthesis in rat hepatocytes in vitro. Direct Red 81 and Direct Black 19:1 did not induce any concentration-related DNA repair synthesis. In vivo reduction of azo dyes is required for the genotoxicity of these azo dyes.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 非人类毒性摘录

三种染料化合物的诱变活性通过沙门氏菌/微粒体哺乳动物测试、微核试验和小鼠显性致死突变试验进行了测量。在Ames试验中使用了沙门氏菌-鼠伤寒菌株TA-1535、TA-1537、TA-1538、TA-98和TA-100。微粒体（S-9混合物）是由用Aroclor-1254处理的鼠肝制备的。直接黑19:1似乎是一个间接诱变剂，能在TA-1538和TA-98中诱导移码反向突变。在微核试验中，将这些染料通过腹腔注射到雄性BALD/c小鼠体内，分两次给药（总剂量达到1500 mg/kg），间隔24小时。第一次注射后30小时制备骨髓涂片。所有三种染料都显著并剂量相关地增加了带有微核的多色红细胞的出现频率。在显性致死试验中，将染料溶液连续五天通过腹腔注射给雄性小鼠，每天剂量相当于50%致死剂量的25%。作为阳性对照的甲基甲烷磺酸酯增加了与处理过的雄性小鼠交配的雌性小鼠的死胚胎数量，但是三种染料中没有一种诱导了这种效果。

The mutagenic activity of three dye compounds was measured by the Salmonella/microsome mammalian test, the micronucleus test and the mouse dominant lethal mutation test. Salmonella-typhimurium strains TA-1535, TA-1537, TA-1538, TA-98 and TA-100 were used in the Ames assay. Microsomes (S-9 mix) were prepared from livers of rats treated with Aroclor-1254. Direct Black 19:1 appeared to be an indirect mutagen inducing frameshift reverse mutations in TA-1538 and TA-98. In the micronucleus test the dyes were administered in saline intraperitoneally to male BALD/c mice in two doses (total dose up to 1500 mg/kg) separated by 24 hours. Bone marrow smears sere prepared 30 hour after the first injection. All three dyes increased the frequency of polychromatic erythrocytes with micronuclei in a significant and dose related manner. In the dominant lethal assay the dye solutions were given intraperitoneally to male mice for 5 consecutive days at daily doses equal to 25% of the 50% lethal dose. Methylmethane-sulfonate, used as a positive control, produced an increase of dead implants in females mated with treated males, but none of the three dyes induced such an effect.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 非人类毒性摘录

六种偶氮染料的诱变性在标准的沙门氏菌试验中进行了检测。还检测了大鼠尿液中偶氮染料代谢物的诱变性。将斯普拉格道利大鼠通过插管喂食500 mg/kg的直接黑38、直接黑19、直接棕95、溶剂黄、台盼蓝或食品黑2。收集24小时内的尿液，并通过柱层析法分离以隔离偶氮染料代谢物。这些代谢物与大鼠肝脏S-9一起在沙门氏菌typhimurium菌株TA-1535、TA-1537、TA-1538、TA-98和TA-100中进行了诱变性测试。溶剂黄在TA-1538中诱变性最强，产生10个回复突变体/纳摩尔，其次是直接黑38和直接黑19，分别产生3.5和3.0个回复突变体/纳摩尔。台盼蓝的诱变性较弱，产生0.06个回复突变体/纳摩尔。其余染料在任何菌株中直至5 mg/平板的剂量下都不具有诱变性，无论是否存在代谢激活。直接黑19、直接黑95和台盼蓝的二氧化硫还原增加了它们在TA-1538和TA-98中的诱变活性。直接黑19的还原产物在TA-1538菌株中产生了55个回复突变体/纳摩尔。二氧化硫还原并未增加直接黑38的诱变性，也未影响其他染料的诱变性。用直接黑38、直接黑95、直接黑19和溶剂黄插管的大鼠尿液提取物在TA-1538和TA-98菌株中具有生物激活的诱变性。

The mutagenicity of six azo dyes was examined in a standard Salmonella assay. The mutagenicity of azo dye metabolites in rat urine was also assayed. Sprague Dawley rats were intubated with 500 mg/kg of direct black 38, direct black 19, direct brown 95, solvent yellow, trypan blue, or food black 2. Urine was collected for 24 hours and separated by column chromatography to isolate azo dye metabolites. These were tested for mutagenicity with rat liver S-9 in Salmonella typhimurium strains TA-1535, TA-1537, TA-1538, TA-98, and TA-100. Solvent yellow was the most mutagenic in TA-1538 producing 10 revertants/nanomole followed by direct black 38 and direct black 19 which produced 3.5 and 3.0 revertants/nanomole, respectively. Trypan blue mutagenicity was weak, producing 0.06 revertant/nanomole. The remaining dyes were not Not mutagenic in any strain up to a dose of 5 mg/plate regardless of the presence or absence of metabolic activation. Dithionite reduction of direct black 19, direct black 95, and trypan blue increased their mutagenic activity in TA-1538 and TA-98. Reduction products of direct black 19 produced 55 revertants/nanomole in strain TA-1538. Dithionite reduction did not increase the mutagenicity of direct black 38 nor did it affect the mutagenicity of the other dyes. Urine extracts from rats intubated with direct black 38, direct black 95, direct black 19, and solvent yellow were mutagenic in strain TA-1538 and TA-98 with bioactivation.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• TSCA 测试提交

C.I.直接黑19, Disodium salt (CAS # 6428-31-5)的皮肤分解和吸收进行了评估。测试物质以16.25毫克的量涂抹在兔皮上（数量和性别未报告），持续144小时。在总共144小时内，每隔24小时收集一次排泄的尿液和粪便。尿液和粪便的总活性回收率分别为17.12%和7.87%，总排泄量约为25%。没有检测到标准代谢物（PPD、PPDM或PPDD）。

C.I. direct black 19, disodium salt (CAS # 6428-31-5) was evaluated for dermal breakdown and absorption. The test substance was painted onto rabbit skin (number and sex not reported) at a level of 16.25 mg for 144-hours. The excreted urine and feces was collected at 24-hour intervals for a total of 144 hours. The total recovery of activity was 17.12 and 7.87% for the urine and feces, respectively for a total excretion of approximately 25%. None of the standard metabolites (PPD, PPDM or PPDD) were detected.

来源:Hazardous Substances Data Bank (HSDB)