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BrilliantBlueFCF

中文名称
——
中文别名
——
英文名称
BrilliantBlueFCF
英文别名
disodium;2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonate
BrilliantBlueFCF化学式
CAS
——
化学式
C37H34N2Na2O9S3
mdl
——
分子量
792.9
InChiKey
SGHZXLIDFTYFHQ-UHFFFAOYSA-L
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    -0.97
  • 重原子数:
    53
  • 可旋转键数:
    9
  • 环数:
    5.0
  • sp3杂化的碳原子比例:
    0.16
  • 拓扑面积:
    203
  • 氢给体数:
    0
  • 氢受体数:
    10

ADMET

毒理性
  • 致癌物分类
国际癌症研究机构致癌物:亮蓝色FCF,二钠盐
IARC Carcinogenic Agent:Brilliant Blue FCF, disodium salt
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16卷(1978年)一些芳香胺及其相关硝基化合物 - 染发剂、着色剂和杂项工业化学品
IARC Monographs:Volume 16: (1978) Some Aromatic Amines and Related Nitro Compounds – Hair Dyes, Colouring Agents and Miscellaneous Industrial Chemicals
来源:International Agency for Research on Cancer (IARC)
毒理性
  • 致癌物分类
3, 其对人类致癌性无法分类。
3, not classifiable as to its carcinogenicity to humans. (L135)
来源:Toxin and Toxin Target Database (T3DB)
毒理性
  • 相互作用
尽管单个焦油食品色素根据可接受日摄入量(ADI)进行控制,但目前尚无明确信息说明这些添加剂组合如何影响食品安全。在当前研究中,对单一使用和组合使用色素对神经祖细胞(NPC)毒性的效力进行了检测,NPC是发育阶段的生物标志物,以及对神经发生的影响,这反映了成年中枢神经系统(CNS)的功能。/亮红AC/和/苋菜红/在小鼠多能NPC中减少了NPC的增殖和存活率,在发育中的CNS模型中。在韩国平均日摄入量1000倍高于的小鼠模型中测试的几种组合中,/柠檬黄/和/亮蓝FCF/的组合显著减少了成年小鼠海马区新产生细胞数量,表明对海马神经发生有强烈的负面影响。然而,包括/亮红AC/和/苋菜红/在内的其他组合并未影响齿状回的成年海马神经发生。证据表明,大多数焦油食品色素的单个和组合使用在发育NPC和成年海马神经发生方面可能是安全的。然而,对/柠檬黄/和/亮蓝FCF/过高剂量组合的反应表明可能有协同效应,以抑制成年海马区NPC的增殖。数据表明,焦油色素的组合可能对发育和成年海马神经发生产生不利影响...
Although individual tar food colors are controlled based on acceptable daily intake (ADI), there is no apparent information available for how combinations of these additives affect food safety. In the current study, the potencies of single and combination use of /dyes/ were examined on neural progenitor cell (NPC) toxicity, a biomarker for developmental stage, and neurogenesis, indicative of adult central nervous system (CNS) functions. /Allura red AC/ and /amaranth/ reduced NPC proliferation and viability in mouse multipotent NPC, in the developing CNS model. Among several combinations tested in mouse model, combination of /tartrazine /and /brilliant blue FCF / at 1000-fold higher than average daily intake in Korea significantly decreased numbers of newly generated cells in adult mouse hippocampus, indicating potent adverse actions on hippocampal neurogenesis. However, other combinations including /allura red AC/ and /amaranth/ did not affect adult hippocampal neurogenesis in the dentate gyrus. Evidence indicates that single and combination use of most tar food colors may be safe with respect to risk using developmental NPC and adult hippocampal neurogenesis. However, the response to excessively high dose combination of /tartrazine/ and /brilliant blue FCF/ suggestive of synergistic effects to suppress proliferation of NPC in adult hippocampus. Data indicated that combinations of tar colors may adversely affect both developmental and adult hippocampal neurogenesis...
来源:Hazardous Substances Data Bank (HSDB)
吸收、分配和排泄
(14)C标记的绿色S和亮蓝色FCF在大鼠、小鼠和豚鼠中的吸收、代谢和排泄情况已被研究。在给雄性或雌性大鼠单次口服绿色S 100微克/千克或亮蓝色FCF 10毫克/千克,以及绿色S 30微克/千克或亮蓝色FCF 3毫克/千克后,大部分剂量在72小时内以未改变的形式随粪便排出。在给(14)C标记的色素之前,通过饲料预先给雄性大鼠未标记的绿色S或亮蓝色FCF(分别为每天100毫克/千克或30毫克/千克)21天,对此途径的排泄或消除全部标记物的时间没有影响。同样,雄性小鼠和豚鼠也随粪便排出了单次口服的绿色S或亮蓝色FCF的全部剂量。通过对孤立的小肠环的研究,证实了所有三种被调查物种的胃肠道对标记染料的吸收和代谢非常有限。研究还显示,给怀孕大鼠(14)C标记的绿色S或亮蓝色FCF后,胎儿没有摄取到放射性。
The absorption, metabolism and excretion of (14)C-labelled Green S and Brilliant Blue FCF have been studied in the rat, mouse and guinea-pig. Following administration of a single oral dose of Green S at either 100 ug/kg or 10 mg/kg of Brilliant Blue FCF at either 30 ug/kg or 3 mg/kg to male or female rats, substantially all of the dose was excreted unchanged in the feces within 72 hr. Pretreating male rats with unlabelled Green S or Brilliant Blue FCF in the diet (100 or 30 mg/kg day, respectively) for 21 days prior to dosing with (14)C-labelled coloring had no effect on the route of excretion or the time taken to eliminate all of the label. Similarly male mice and guinea-pigs excreted in the feces all of a single oral dose of Green S or Brilliant Blue FCF. The lack of absorption and metabolism of the labelled dye in the gastro-intestinal tract of all three species investigated was confirmed by studies using isolated loops of small intestine. It was shown that no radioactivity was taken up by the fetuses of pregnant rats given (14)C-labelled Green S or Brilliant Blue FCF.
来源:Hazardous Substances Data Bank (HSDB)
吸收、分配和排泄
Sprague-Dawley雌性大鼠通过灌胃给予单次剂量的(14)C标记色素(0.27毫克;1.74微居里)。在胆管结扎的大鼠中,FD & C蓝NO.1的肠吸收量(从口服给药后96小时内的尿液(14)C排泄、呼出的(14)CO2以及内脏和组织的残留放射性估计)平均为剂量的2.05%。平均粪便排泄量为97.28%,施用放射性的总回收率为99.38%。完整大鼠对(14)C-FD & C蓝NO.1的肠吸收平均仅为0.27%(91%回收率),而在胆管插管动物中的胆汁排泄量平均为剂量的1.32%。尿液和胆汁样本的薄层色谱分析显示,约95%的排泄放射性是未改变的FD & C蓝NO.1,约5%是FD & C蓝NO.1的一种未识别的代谢物或降解产物。结果表明,FD & C蓝NO.1从胃肠道的吸收很差,并且吸收的化合物随后会经历快速而完全的胆汁排泄。
Female Sprague-Dawley rats were given a single dose (0.27 mg; 1.74 uCi) of the (14)C-labelled coloring by gavage. In bile-duct ligated rats, intestinal absorption of FD & C Blue No.1 (estimated from urinary (14)C excretion, expired (14)CO2 and residual radioactivity in internal organs and tissues 96 hr after oral administration) averaged 2.05% of the dose. Mean fecal excretion was 97.28% and the total recovery of administered radioactivity was 99.38%. Intestinal absorption (14)C-FD & C Blue No. 1 in intact rats averaged only 0.27% (91% recovery), while biliary excretion in bile-duct cannulated animals averaged 1.32% of the dose. Thin-layer chromatography of urine and bile samples revealed that about 95% of excreted radioactivity was unaltered FD & C Blue No. 1 and that about 5% was an unidentified metabolite or degradation product of FD & C Blue No. 1. The results show that FD & C Blue No.1 is poorly absorbed from the gastro-intestinal tract, and undergoes subsequent rapid and complete biliary excretion /of the absorbed compound/.
来源:Hazardous Substances Data Bank (HSDB)
吸收、分配和排泄
在5小时内,大鼠胆汁中排出的标记剂量(3毫克/千克体重)小于0.05%。在妊娠第8天口服给予(14)C标记的亮蓝FCF的怀孕大鼠中,第11天在胎儿中检测到的放射性非常低(剂量的0.004 - 0.006%)。亮蓝FCF在中心甲烷环上用(14)C标记,其放射性纯度超过95%。
... Less than 0.05% of a labeled dose of 3 mg/kg bw was excreted in the bile of rats over a 5-hour period. Very little radioactivity (0.004 - 0.006% of dose) was detected on day 11 in the fetuses of pregnant rats given (14)C-labelled Brilliant Blue FCF orally on day 8 of gestation. ... Brilliant Blue FCF was labeled with (14)C in the central methane ring and had a radioactive purity of greater than 95%. ...
来源:Hazardous Substances Data Bank (HSDB)
吸收、分配和排泄
在给雄性或雌性大鼠通过灌胃给予30微克/千克体重或3毫克/千克体重的(14)C-亮蓝色FCF后,几乎所有剂量的药物在72小时内未发生变化地通过粪便排出(低剂量时为99.9%,高剂量时为95.4%)。在呼出的空气中没有检测到放射性,尿液中检测到的量少于0.5%。...
Following administration of either 30 ug/kg bw or 3 mg/kg bw of (14)C-Brilliant Blue FCF by gavage to male or female rats, substantially all of the dose was excreted unchanged in the feces within 72 hours (99.9% at low dose, 95.4% at high dose). No radioactivity was detected in the expired air and less than 0.5% was detected in the urine. ...
来源:Hazardous Substances Data Bank (HSDB)

文献信息

  • ANIMAL ECTOPARASITE CONTROL COMPOSITION
    申请人:NISHIGUCHI Naonobu
    公开号:US20110160251A1
    公开(公告)日:2011-06-30
    The present invention provides an animal ectoparasite control composition containing an insecticidal component and an adipate, and a method of controlling an animal ectoparasite which comprises administering an effective amount of the animal ectoparasite control composition to an animal.
    本发明提供了一种含有杀虫成分和己二酸酯的动物外寄生虫控制组合物,以及一种控制动物外寄生虫的方法,包括向动物施用有效量的动物外寄生虫控制组合物。
  • USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND COMPOSITIONS COMPRISING SUCH ACTIVE INGREDIENTS
    申请人:BASF SE
    公开号:US20200190052A1
    公开(公告)日:2020-06-18
    The invention relates primarily to a method of modulation, preferably of in vitro and/or in vivo modulation, of the cold menthol receptor TRPM8, wherein the receptor is contacted with at least one modulator selected from the group consisting of the compounds of the structure type 1 described herein. The present invention further relates to corresponding uses and compositions comprising such compounds.
    该发明主要涉及一种调制方法,优选是体外和/或体内调制寒冷薄荷醇受体TRPM8的方法,其中受体与本文描述的结构类型1的化合物群中至少一种调制剂接触。本发明还涉及相关用途和包含这些化合物的组合物。
  • ANIMAL ECTOPARASITE-CONTROLLING AGENT
    申请人:IKARI Kaori
    公开号:US20120029038A1
    公开(公告)日:2012-02-02
    The present invention provides an animal ectoparasite-controlling agent containing as an active ingredient a hydrazide compound represented by the formula (1) wherein R 3 represents a fluorine atom, a chlorine atom, a bromine atom, a methyl group, an ethyl group or a hydrogen atom, R 5 and R 6 are the same or different each other and each represents a methyl group or a hydrogen atom, R 4 represents a C1-C6 haloalkyl group, which shows excellent controlling effects on animal ectoparasites.
    本发明提供了一种动物外寄生虫控制剂,其活性成分为由式(1)表示的肼化合物,其中R3代表氟原子、氯原子、溴原子、甲基基团、乙基基团或氢原子,R5和R6相同或不同,各自代表甲基基团或氢原子,R4代表C1-C6卤代烷基基团,对动物外寄生虫具有优异的控制效果。
  • LOW MOLECULAR WEIGHT MODULATORS OF THE COLD MENTHOL RECEPTOR TRPM8 AND USE THEREOF
    申请人:BASF SE
    公开号:US20170265510A1
    公开(公告)日:2017-09-21
    The invention relates to new types of modulators of the cold menthol receptor TRPM8, to methods of modulating the TRPM8 receptor using these modulators; and in particular the use of the modulators for inducing a sensation of coldness; and also the articles and compositions produced using these modulators.
    本发明涉及新型的冷薄荷感受受体TRPM8的调制剂,以及利用这些调制剂调节TRPM8受体的方法;特别是利用这些调制剂诱导寒冷感觉的用途;以及利用这些调制剂生产的文章和组合物。
  • [EN] L-SUGAR COLON CLEANSING AGENT AND USES THEREOF<br/>[FR] AGENT DE NETTOYAGE DU CÔLON À BASE DE L-SUCRE ET SES UTILISATIONS
    申请人:AXCAN PHARMA INC
    公开号:WO2010141751A1
    公开(公告)日:2010-12-09
    Disclosed is L-glucose monohydrate and compositions thereof. Also disclosed are methods for making L-glucose monohydrate and compositions thereof. Further disclosed are methods for colonic cleansing using L-sugars, such as L-glucose monohydrate, and compositions and kits useful for colonic cleansing.
    本文披露了L-葡萄糖一水合物及其组合物。还披露了制备L-葡萄糖一水合物及其组合物的方法。此外,还披露了使用L-糖类(如L-葡萄糖一水合物)进行结肠清洁的方法,以及用于结肠清洁的组合物和工具包。
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
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ir
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  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
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Assign
Shift(ppm)
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测试频率
样品用量
溶剂
溶剂用量
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同类化合物

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