Direct blue 218 | 28407-37-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Direct blue 218
• 英文别名: dicopper;tetrasodium;5-amino-3-[[4-[4-[(8-amino-1-oxido-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-4-oxidonaphthalene-2,7-disulfonate
• CAS: 28407-37-6
• 化学式: C32H16Cu2N6Na4O16S4
• 分子量: 1087.8
• InChiKey: GWEZPAIPHHUMTI-UHFFFAOYSA-F

物化性质

• 沸点：
  1560℃[at 101 325 Pa]
• 密度：
  2.8[at 20℃]
• 溶解度：
  可溶于DMSO（少量）、甲醇（少量）、水（少量）
• LogP：
  -0.77 at 25℃

计算性质

• 辛醇/水分配系数(LogP)：
  -10.42
• 重原子数：
  64
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  456
• 氢给体数：
  2
• 氢受体数：
  22

ADMET

毒理性

• 非人类毒性摘录

直接蓝 218 由国家毒理学计划评估，用于诱导果蝇黑腹菌的性连锁隐性致死突变。将 Canton-S 野生型雄性与导致大约 30% 致死率的直接蓝 218 浓度接触处理。处理后，将雄性个体与 3 组处女 Basc 雌性配对，以产生 3 代用于分析。通过注射（1000 ppm）或喂食（10,000 ppm）测试的直接蓝 218 浓度在此分析中呈阴性。

Direct Blue 218 was evaluated for the induction of sex-linked recessive lethal mutations in Drosophila melanogaster by the National Toxicology Program. Canton-S wild-type males were treated with concentrations of Direct Blue 218 that result in approximately 30% mortality. Following treatment, males were mated individually to 3 harems of Basc virgin females to produce 3 broods for analysis. The concentrations of Direct Blue 218 tested by injection (1000 ppm) or feeding (10,000 ppm) were negative in this assay.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 非人类毒性摘录

在这些2年喂养研究的条件下，有证据表明C.I. 直接蓝218在雄性F344/N大鼠中具有致癌活性，这是基于咽部肿瘤的发生。胃前部鳞状细胞肿瘤可能与化学物质有关。没有证据表明C.I. 直接蓝218在给予1000、3000或10000 ppm的雌性F344/N大鼠中具有致癌活性。有明确的证据表明C.I. 直接蓝218在雄性和雌性B6C3F1小鼠中具有致癌活性，基于肝细胞腺瘤和肝癌的发病率增加。雄性小鼠中少数肾和小肠肿瘤的发生可能与C.I. 直接蓝218处理有关。...

Under the conditions of these 2 yr feed studies, there was some evidence of carcinogenic activity of C.I. Direct Blue 218 in male F344/N rats based on the occurrence of pharyngeal neoplasms. Squamous cell neoplasms of the forestomach may have been chemical related. There was no evidence of carcinogenic activity of C.I. Direct Blue 218 in female F344/N rats given 1,000, 3,000 or 10,000 ppm. There was clear evidence of carcinogenic activity of C.I. Direct Blue 218 in male and female B6C3F1 mice based upon incr incidences of hepatocellular adenomas and carcinomas. The occurrence of a few neoplasms of the kidney and small intestine in male mice may have been related to C.I. Direct Blue 218 treatment. ...

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 非人类毒性摘录

C.I 直接蓝 218 在使用和不使用外源代谢活化（S9）的大肠杆菌伤寒沙门氏菌 TA98、TA100、TA1535 或 TA1537 菌株中并未表现出致突变性。它还在一个修改后的沙门氏菌测试协议中进行了测试，该协议使用黄素单核苷酸或大鼠盲肠细菌提供的还原代谢，随后进行氧化代谢；使用 TA1538 菌株的这种测试结果也是阴性的。C.I. 直接蓝 218 在没有 S9 的情况下测试的最高剂量下，在中国仓鼠卵巢细胞中诱导了姐妹染色单体交换的小幅但显著增加。在中国仓鼠卵巢细胞中，无论是否使用 S9，都没有观察到染色体畸变的增加。C.I. 直接蓝 218 并未诱导雄性果蝇黑腹菌的性连锁隐性致死突变。

C.I Direct Blue 218 was not mutagenic in Salmonella typhimurium strains TA98, TA100, TA1535, or TA1537 tested with and without exogenous metabolic activation (S9). It was also tested in a modified Salmonella test protocol which employed reductive metabolism supplied by flavin mononucleotide or rat cecal bacteria, followed by oxidative metabolism; results of this test using strain TA1538 were also negative. C.I. Direct Blue 218 induced a small but significant increase in sister chromatid exchanges in Chinese hamster ovary cells at the highest dose tested without S9. No increase in chromosomal aberrations were observed in Chinese hamster ovary cells with or without S9. C.I. Direct Blue 218 did not induce sex linked recessive lethal mutations in germ cells of male Drosophila melanogaster.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• TSCA 测试提交

C.I. 直接蓝 218（CAS # 28407-37-6）对急性皮肤毒性的评估。将测试物质以2.0克/千克体重的剂量涂抹在新西兰白兔剃光的背部（1只/性别磨损；1只/性别完好）。测试部位覆盖了24小时。动物#1出现腹泻、腹部膨胀和少量粪便；动物#2出现嗜睡。所有其他动物看起来正常。尸检发现所有动物看起来正常。没有发生死亡，皮肤LD50确定为大于2.0克/千克体重。

C.I. direct blue 218 (CAS # 28407-37-6) was evaluated for acute dermal toxicity. The test substance was applied to the clipped backs of New Zealand white rabbits (1/sex abraded; 1/sex intact) at a dose level of 2.0 g/kg of body weight. The test site was covered for 24-hours. Diarrhea, bloated abdomen and few feces was noted in animal #1; and lethargy in animal #2. All other animals appeared normal. Necropsy findings concluded that all animals appeared normal. No mortality occurred and the dermal LD50 was determined to be greater than 2.0 g/kg b.w.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• TSCA 测试提交

C.I.直接蓝218（CAS # 28407-37-6）对急性吸入毒性的评估。测试物质通过直接粉尘投喂系统给予Holtzman Sprague-Dawley大鼠（5/性别），浓度为11.71 mg/l，持续4小时。没有发生死亡。在暴露期间或14天的观察期内没有出现临床体征。雄性大鼠的体重正常，但2只雌性大鼠表现出轻微的体重增长下降。尸检发现所有动物的肺部都有宏观病变。这些发现包括出血点和高潮，肺叶或肺叶的一部分呈紫色变色和粗糙质地，以及呈收缩外观的结节状肿块或生长物。这些发现被认为与治疗无关，因为得出结论这些发现是典型的慢性小鼠肺炎综合症。

C.I. direct blue 218 (CAS # 28407-37-6) was evaluated for acute inhalation toxicity. The test substance was administered by a direct dust-feed system to Holtzman Sprague-Dawley rats (5/sex) at a concentration of 11.71 mg/l for 4-hours. No mortality occurred. No clinical signs occurred during exposure or the 14-day observation period. Body weights of males were normal, but 2 females exhibited slight depressed weight gain. Necropsy findings found macroscopic lesions in the lungs of all animals. These findings included hemorrhagic spots and foci, a purplish discoloration and rough texture of lobes or portions of lobes, and nodular masses or growths with a shrunken appearance. These findings were not considered treatment-related because it was concluded that these findings were typical of chronic murine pneumonia complex.

来源:Hazardous Substances Data Bank (HSDB)