disodium;2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-5-hydroxybenzenesulfonate

• 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: disodium;2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-5-hydroxybenzenesulfonate
• 化学式: C37H34N2Na2O10S3
• 分子量: 808.9
• InChiKey: RZSYLLSAWYUBPE-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -1.26
• 重原子数：
  54
• 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：
  223
• 氢给体数：
  1
• 氢受体数：
  11

ADMET

毒理性

• 致癌物分类

国际癌症研究机构致癌物：快速绿 FCF

IARC Carcinogenic Agent:Fast Green FCF

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：对其对人类的致癌性无法分类

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

• 相互作用

当给予靛蓝卡米（含有二级胺的染料）、快绿FCF（含有三级胺的染料）和亚硝酸盐的半浓度组合时，SCE的值始终低于单独给予每种物质时预期值的总和。这表明染料和亚硝酸盐在SCE上存在拮抗反应。

... When a combination of half the concentrations of Indigo carmine (secondary amine containing dye), Fast green FCF (tertiary amine containing dye) and nitrite was given, the values of SCEs were consistently lower than the sum of the expected values of the agents given individually. This indicates antagonistic response between the dyes and nitrite on SCEs.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

/SRP:/ 立即急救：确保已经进行了充分的中毒物清除。如果患者停止呼吸，开始人工呼吸，最好使用需求阀复苏器、袋阀面罩装置或口袋面罩，按训练操作。如有必要，执行心肺复苏。立即用缓慢流动的水冲洗受污染的眼睛。不要催吐。如果发生呕吐，让患者前倾或置于左侧（如果可能的话，头部向下）以保持呼吸道畅通，防止吸入。保持患者安静，维持正常体温。寻求医疗帮助。 /毒物A和B/

/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on the left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Poisons A and B/

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

静脉注射到大鼠体内后，超过90%的“Fast Green FCF”在4小时内通过胆汁排出。

Following i.v. injection in rats, over 90% of the /Fast Green FCF/ was excreted in the bile within 4 hours.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

狗口服了200毫克的/快绿FCF/...做了一个胆汁瘘管以进行胆汁分析。...在胆汁中发现的/快绿FCF/的量从未超过给药剂量的5%。...

Dogs were given orally 200 mg of the /Fast Green FCF/... a bile fistula was made for bile analysis. ... The amount of /Fast Green FCF found in the bile/ never exceeded 5% of the given dose. ...

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

老鼠...口服了200毫克的/快速绿FCF/...收集了36小时的尿液和粪便。...几乎所有的/快速绿FCF/都未改变地排泄在大鼠的粪便中。尿液中没有发现/快速绿FCF/。...

Rats ... were given orally 200 mg of the /Fast Green FCF/... the urine and feces were collected for 36 hours. ... Almost all the administered /Fast Green FCF/ was excreted unchanged in the feces of rats. No /Fast Green FCF/ was found in the urine. ...

来源:Hazardous Substances Data Bank (HSDB)

文献信息

• Reagents and methods for direct labeling of nucleotides
  申请人：Naleway John J.

  公开号：US20130150254A1

  公开（公告）日：2013-06-13

  The present invention provides systems and methods for production of activatable diazo-derivatives for use in labeling nucleotides. Labeling nucleotides is accomplished by contacting a stable hydrazide derivative of a detectable moiety with an activating polymer reagent which is used to directly label the nucleotide sample. Labeling occurs on the phosphate backbone of the nucleotide which does not perturb hybridization of the labeled nucleotide with its anti-sense strand. Since the method involves direct labeling, all types of nucleotides can be labeled without prior amplification or alteration.

  本发明提供了用于生产可激活重氮衍生物以用于标记核苷酸的系统和方法。通过将可检测基团的稳定的肼酰肼衍生物与用于直接标记核苷酸样品的活化聚合物试剂接触来完成核苷酸的标记。标记发生在核苷酸的磷酸骨架上，不会干扰标记核苷酸与其反义链的杂交。由于该方法涉及直接标记，所有类型的核苷酸都可以在不经过扩增或改变的情况下进行标记。
• 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。
• THIOL DYES
  申请人：Eliu Victor Paul

  公开号：US20090113639A1

  公开（公告）日：2009-05-07

  Disclosed are thiol dyes of formula (1), wherein R 1 is hydrogen; C 1 -C 12 alkyl; or phenyl-C 1 -C 4 alkyl; X is C 1 -C 12 alkylene; C 2 -C 12 alkenylene; C 5 -C 10 cycloalkylene; C 5 -C 10 arylene; or C 5 -C 10 arylene-C 1 -C 10 alkylene; Y is the residue of an organic dye which corresponds to the formula (1a), wherein R 2 is hydrogen; or C 1 -C 5 alkyl; R 3 is a radical of formula (1a 1 ): (1a 2 ); or (1a 3 ); or R 2 and R 3 together with the linking carbon atom 1 C form a 6 to 10 membered carbocyclic ring which may optionally be a condensated aromatic system and may contain one or more than one hetero atom; and R 4 , R 5 and R 6 independently form each other are hydrogen, or C 1 -C 5 alkyl; Z is H; or a thio ester group of formula (1b), wherein A is O; S; or N—R9; B is —OR7; —NR7R8, or —SR7; and A is O; S; or N—R 9 ; B is —OR 7 ; —NR 7 R 8 , or —SR 7 ; and R 7 , R 8 and R 9 , independently from each other are hydrogen; C 1 -C 12 alkyl C 6 -C 12 aryl; or C 6 -C 12 aryl-C 1 -C 12 alkyl. The compounds are useful for the dyeing of organic materials, such as keratin fibers, preferably human hair.

  揭示了式（1）的硫醇染料，其中R1为氢；C1-C12烷基；或苯基-C1-C4烷基；X为C1-C12亚烷基；C2-C12烯亚烷基；C5-C10环烷基；C5-C10芳基；或C5-C10芳基-C1-C10亚烷基；Y为与式（1a）对应的有机染料的残基，其中R2为氢；或C1-C5烷基；R3为式（1a1）的基团：（1a2）；或（1a3）；或R2和R3与连接碳原子1C形成6至10成员的碳环，该碳环可以选择性地是一个缩合芳香系统，并且可以含有一个或多个杂原子；以及R4，R5和R6独立地形成彼此为氢，或C1-C5烷基；Z为H；或式（1b）的硫酯基团，其中A为O；S；或N—R9；B为—OR7；—NR7R8，或—SR7；而A为O；S；或N—R9；B为—OR7；—NR7R8，或—SR7；且R7，R8和R9，彼此独立地为氢；C1-C12烷基；C6-C12芳基；或C6-C12芳基-C1-C12烷基。这些化合物适用于有机材料的染色，例如角蛋白纤维，最好是人类头发。
• Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients
  申请人：Rogers D. Robin

  公开号：US20070093462A1

  公开（公告）日：2007-04-26

  Disclosed are ionic liquids and methods of preparing ionic liquid compositions of active pharmaceutical, biological, nutritional, and energetic ingredients. Also disclosed are methods of using the compositions described herein to overcome polymorphism, overcome solubility and delivery problems, to control release rates, add functionality, enhance efficacy (synergy), and improve ease of use and manufacture.

  揭示了离子液体及制备活性药物、生物、营养和能量成分的离子液体组合物的方法。还揭示了利用本文描述的组合物的方法，以克服多型性、克服溶解度和输送问题、控制释放速率、增加功能性、增强功效（协同作用）以及改善易用性和制造工艺。
• ROOT CANAL TREATMENT MATERIAL AND ROOT CANAL TREATMENT KIT
  申请人：FUJIFILM Corporation

  公开号：US20180296445A1

  公开（公告）日：2018-10-18

  The present invention provides a root canal treatment material having excellent curability in a moist environment and a root canal treatment kit containing the root canal treatment material. The root canal treatment material of the present invention includes: at least one compound (A) selected from the group consisting of a compound represented by Formula (1), a compound represented by Formula (2), and a compound represented by Formula (3); an acidic group-containing monomer (B); and a polymerization initiator (C).

  本发明提供了一种在潮湿环境中具有优异固化性的根管治疗材料，以及包含该根管治疗材料的根管治疗工具包。本发明的根管治疗材料包括：至少一种化合物（A），所述化合物从以下组中选择：由式（1）表示的化合物，由式（2）表示的化合物和由式（3）表示的化合物；含酸基的单体（B）；以及聚合引发剂（C）。

表征谱图