disodium;3-hydroxy-4-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2,7-disulfonate

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: disodium;3-hydroxy-4-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2,7-disulfonate
• 化学式: C19H16N2Na2O7S2
• 分子量: 494.5
• InChiKey: SWPPXVFKWWEYSV-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -2.3
• 重原子数：
  32
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  176
• 氢给体数：
  1
• 氢受体数：
  9

ADMET

代谢

口服给兔后，尿液中有0.4%未改变的染料和44%的2,4,5-三甲基苯胺被排出……

FOLLOWING ITS ORAL ADMINISTRATION TO RABBITS, 0.4% UNCHANGED DYE & 44% 2,4,5-TRIMETHYLANILINE WERE EXCRETED IN URINE...

来源:Hazardous Substances Data Bank (HSDB)

代谢

...通过还原偶氮键生成1-氨基-2-萘酚-3,6-二磺酸，以及包括2,4,5-和2,4,6-三甲基苯胺以及2,4-、2,5-和2,6-二甲苯基的多种苯胺衍生物。

...METABOLIZED BY REDUCTION OF AZO LINKAGE TO YIELD 1-A MINO-2-NAPHTHOL-3,6-DISULFONIC ACID, TOGETHER WITH VARIETY OF ANILINE DERIVATIVES INCLUDING 2,4,5- & 2,4,6-TRIMETHYLANILINE, & 2,4-, 2,5- & 2,6-XYLIDINES.

来源:Hazardous Substances Data Bank (HSDB)

代谢

AMINONAPHTHOL-DISULFONIC ACID /代谢物/ 以原形排出，但苯胺衍生物 /代谢物/ 会进一步代谢，其中一个取代甲基基团会被氧化，并且在2,5-和2,6-二甲苯的情况下，芳香环还会发生羟基化。

AMINONAPHTHOL-DISULFONIC ACID /METABOLITE/ IS EXCRETED UNCHANGED, BUT ANILINE DERIVATIVES /METABOLITES/ ARE FURTHER METABOLIZED BY OXIDATION OF ONE OF SUBSTITUENT METHYL GROUPS, & IN CASE OF 2,5- & 2,6-XYLIDINE ONLY, BY HYDROXYLATION OF AROMATIC RING.

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：胭脂红3R

IARC Carcinogenic Agent:Ponceau 3R

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著：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

• 副作用

职业性肝毒素 - 第二性肝毒素：在职业环境中的毒性效应潜力是基于人类摄入或动物实验的中毒案例。

Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

文献信息

• BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF
  申请人：SENOMYX, INC.

  公开号：US20160376263A1

  公开（公告）日：2016-12-29

  The present invention includes compounds and compositions known to modify the perception of bitter taste, and combinations of said compositions and compounds with additional compositions, compounds, and products. Exemplary compositions comprise one or more of the following: cooling agents; inactive drug ingredients; active pharmaceutical ingredients; food additives or foodstuffs; flavorants, or flavor enhancers; food or beverage products; bitter compounds; sweeteners; bitterants; sour flavorants; salty flavorants; umami flavorants; plant or animal products; compounds known to be used in pet care products; compounds known to be used in personal care products; compounds known to be used in home products; pharmaceutical preparations; topical preparations; cannabis-derived or cannabis-related products; compounds known to be used in oral care products; beverages; scents, perfumes, or odorants; compounds known to be used in consumer products; silicone compounds; abrasives; surfactants; warming agents; smoking articles; fats, oils, or emulsions; and/or probiotic bacteria or supplements.

  本发明涵盖已知用于改变苦味感知的化合物和组合物，以及所述组合物和化合物与额外的组合物、化合物和产品的组合。示例组合物包括以下一种或多种：冷却剂；无活性药物成分；活性药用成分；食品添加剂或食品；调味剂或调味增强剂；食品或饮料产品；苦味化合物；甜味剂；苦味剂；酸味调味剂；咸味调味剂；鲜味调味剂；植物或动物产品；已知用于宠物护理产品中的化合物；已知用于个人护理产品中的化合物；已知用于家用产品中的化合物；制药制剂；局部制剂；大麻衍生或与大麻相关的产品；已知用于口腔护理产品中的化合物；饮料；香味、香水或除臭剂；已知用于消费品中的化合物；硅化合物；磨料；表面活性剂；发热剂；吸烟物品；脂肪、油脂或乳化剂；和/或益生菌或补充剂。
• COMPOUNDS USEFUL AS MODULATORS OF TRPM8
  申请人：Senomyx, Inc.

  公开号：US20170096418A1

  公开（公告）日：2017-04-06

  The present disclosure relates to compounds which are useful as cooling sensation compounds.

  本公开涉及作为冷感化合物有用的化合物。
• Compositions
  申请人：NORGINE BV

  公开号：US20140186470A1

  公开（公告）日：2014-07-03

  The invention provides a colon cleansing solution comprising: a) 300 to 800 mmol per litre ascorbate anion provided by a mixture of: (i) ascorbic acid and (ii) one or more salts of ascorbic acid the components (i) and (ii) being present in a molar ratio of from 1:4.5 to 1:7.0; and b) 10 to 200 g per litre polyethylene glycol. The invention also provides methods an kits associated with, or making use of the solutions, and compositions for the preparation of the solutions.

  本发明提供了一种结肠清洁溶液，包括：a) 由以下混合物提供的每升溶液中的300至800毫摩尔抗坏血酸阴离子：(i) 抗坏血酸酸和(ii) 一种或多种抗坏血酸盐，其中组分(i)和(ii)的摩尔比为1:4.5至1:7.0；以及b) 每升溶液中的10至200克聚乙二醇。本发明还提供了与该溶液相关或利用该溶液的方法和工具包，以及用于制备该溶液的组合物。
• Medium for electrophoresis
  申请人：FUJI PHOTO FILM CO., LTD.

  公开号：EP0115436A2

  公开（公告）日：1984-08-08

  A medium for electrophoresis comprising a polyacrylamide gel formed by crosslinking polymerization of an acrylamide compound and a crosslinking agent in the presence of water, and an anionic surfactant, which is characterized in that the medium contains a water-soluble polymer and agarose.

  一种用于电泳的培养基，包括由丙烯酰胺化合物和交联剂在水和阴离子表面活性剂存在下交联聚合而成的聚丙烯酰胺凝胶，其特征在于培养基中含有水溶性聚合物和琼脂糖。
• Element for electrophoresis
  申请人：FUJI PHOTO FILM CO., LTD.

  公开号：EP0119090A2

  公开（公告）日：1984-09-19

  An element for electrophoresis comprising the following three-layer structure laminated in the order: (I) a support layer; (II) an adhesive layer comprising a polymer having at least one specifically selected repeating unit; and (III) a medium layer for electrophoresis comprising an aqueous polyacrylamide gel formed by crosslinking polymerization of an acrylamide compound and a crosslinking agent in the presence of water.

  一种电泳元件，由以下三层结构按顺序层叠而成： (I) 支持层； (II) 粘合层，由具有至少一个特选重复单元的聚合物组成； 和 (III) 用于电泳的介质层，包括由丙烯酰胺化合物和交联剂在水存在下交联聚合 形成的水性聚丙烯酰胺凝胶。