2-(2,4-diaminophenoxy)ethanol;hydron;dichloride

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-(2,4-diaminophenoxy)ethanol;hydron;dichloride
• 化学式: C8H14Cl2N2O2
• 分子量: 241.11
• InChiKey: VXYWXJXCQSDNHX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.07
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  81.5
• 氢给体数：
  5
• 氢受体数：
  4

ADMET

毒理性

• 副作用

皮肤致敏剂 - 一种可以诱导皮肤产生过敏反应的制剂。

Skin Sensitizer - An agent that can induce an allergic reaction in the skin.

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

毒理性

• 非人类毒性摘录

2-(2',4'-二氨基苯氧基)乙醇(DAPE)在果蝇性连锁隐性致死试验中进行了致突变活性的评估。从分批孵化实验中获得的结果表明，用DAPE喂养成年雄性并没有导致突变频率的增加。

2-(2',4'-DIAMINOPHENOXY)ETHANOL (DAPE) WAS EVALUATED FOR MUTAGENIC ACTIVITY IN THE SEX-LINKED RECESSIVE LETHAL TEST IN DROSOPHILA. RESULTS OBTAINED FROM BROOD-FRACTIONATING EXPERIMENTS INDICATED THAT FEEDING OF ADULT MALES WITH DAPE DID NOT LEAD TO AN INCREASE IN THE MUTATION FREQUENCY.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 非人类毒性摘录

在体外中国仓鼠卵巢细胞短期测试中，对DAPE的致突变潜力测试结果显示DAPE不具有致突变性。

RESULTS OF TESTING FOR MUTAGENIC POTENTIAL IN A SHORT-TERM TEST WITH CHINESE HAMSTER OVARY CELLS IN VITRO SHOWED THAT DAPE IS NOT MUTAGENIC.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 非人类毒性摘录

在埃希氏菌中没有发现2-(2',4'-二氨基苯氧基)乙醇具有遗传毒性潜能的证据。

THERE WAS NO EVIDENCE OF GENOTOXIC POTENTIAL OF 2-(2',4'-DIAMINOPHENOXY)ETHANOL IN ESCHERICHIA COLI.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 非人类毒性摘录

致突变性实验涉及沙门氏菌Typhimurium TA1538和TA98、裂殖酵母Schizosaccharomyces pombe SP ade6-60/RAD10-198H-株、酿酒酵母Saccharomyces cerevisiae D4株、中国仓鼠V79细胞以及体外培养的Hela人类细胞，结果均显示阴性。在突变实验系统中测试的DAPE浓度高于三个阳性对照的测试浓度。DAPE被测试至亚毒性水平，因为1毫摩尔产生了细胞100%的致死率。

MUTAGENICITY ASSAYS INVOLVING SALMONELLA TYPHIMURIUM TA1538 & TA98, SCHIZOSACCHAROMYCES POMBE STRAIN SPADE6-60/RAD10-198H-, SACCHAROMYCES CEREVISIAE STRAIN D4, V79 CHINESE HAMSTER CELLS, & HELA HUMAN CELLS GROWN IN VITRO YIELDED NEGATIVE RESULTS. THE TESTED CONCN OF DAPE IN THE MUTATIONAL SYSTEM WAS HIGHER THAN THOSE TESTED FOR THE THREE POSITIVE CONTROLS. DAPE WAS TESTED UP TO THE SUBTOXIC LEVEL, AS 1 MM PRODUCED 100% LOSS OF VIABILITY IN THE CELLS.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

氧化染料2,4-二氨基苯氧基乙醇单独使用或与其他染料配方时，在实验条件下，已经使用(14)C标记分子在大鼠无毛皮肤上的渗透性进行了评估。在实验动物局部应用染料4天后，没有发现任何穿透皮肤屏障的染料在肝脏或甲状腺中有固定。

THE CUTANEOUS PENETRATION OF THE OXIDATION DYESTUFF 2,4-DIAMINOPHENOXYETHANOL EITHER ALONE OR WHEN FORMULATED WITH OTHER DYESTUFFS, & UNDER EXPERIMENTAL CONDITIONS, HAS BEEN EVALUATED IN THE HAIRLESS RAT USING (14)C-LABELED MOLECULES. NO FIXATION OF THE DYESTUFFS INVESTIGATED WHICH DO PASS THROUGH THE CUTANEOUS BARRIER IS FOUND IN EITHER LIVER OR THYROID OF THE EXPERIMENTAL ANIMALS, 4 DAYS AFTER THEIR TOPICAL APPLICATION.

来源:Hazardous Substances Data Bank (HSDB)

反应信息

• 作为反应物：
  描述：

  N-(4-aminophenyl)-N-ethyl-N-isopropylamine hydrochloride 、 2-(2,4-diaminophenoxy)ethanol;hydron;dichloride 、 氨 、 在 水 作用下， 以 水 、 乙醇 为溶剂， 反应 6.0h， 以510 mg of 2-{4-amino-3-[4-(ethylisopropylamino)phenylimino]-6-iminocyclohexa-1,4-dienyloxy}ethanol hydrochloride 66 are thus obtained in the form of a black powder的产率得到2-[4-Amino-3-[4-[ethyl(propan-2-yl)amino]phenyl]imino-6-iminocyclohexa-1,4-dien-1-yl]oxyethanol;hydrochloride
  参考文献：
  名称：

  Particular azomethine direct dyes, dye composition comprising at least one such compound, implementation process therefore and use thereof

  摘要：

  本发明涉及以下式(I)的偶氮亚甲基型直接染料；以及它们用于染色角蛋白纤维的用途，特别是人类角蛋白纤维如头发。本发明还涉及一种用于染色角蛋白纤维的组合物，其中包括这种直接染料在适宜的染料介质中。同样，本发明的一个主题是使用所述染料组合物染色角蛋白纤维的过程，以及包括相同的装置。最后，本发明还涉及这些直接染料的前体。

  公开号：

  US09226883B2

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。
• [EN] PARTICULAR AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH COMPOUND, IMPLEMENTATION PROCESS THEREFORE AND USE THEREOF<br/>[FR] COLORANTS DIRECTS SPÉCIFIQUES D'AZOMÉTHINE, COMPOSITION DE COLORANT COMPRENANT AU MOINS L'UN DE CES COMPOSÉS, LEUR PROCÉDÉ DE MISE EN OEUVRE ET LEUR UTILISATION
  申请人：OREAL

  公开号：WO2013087636A1

  公开（公告）日：2013-06-20

  The present invention relates to direct dyes of azomethine type of formula (I) below; and also to the use thereof for dyeing keratin fibres, in particular human keratin fibres such as the hair. The invention also relates to a composition for dyeing keratin fibres, comprising such direct dyes in a suitable dyeing medium. Similarly, a subject of the invention is a process for dyeing keratin fibres using the said dye composition, and also a device comprising the same. Finally, the present invention also relates to precursors of these direct dyes.

  本发明涉及以下式(I)的偶氮亚甲基型直接染料；以及其用于染色角蛋白纤维，特别是人类角蛋白纤维如头发的用途。该发明还涉及一种用于染色角蛋白纤维的组合物，包括适当的染色介质中的这种直接染料。同样，本发明的一个对象是使用所述染料组合物染色角蛋白纤维的方法，以及包括相同的设备。最后，本发明还涉及这些直接染料的前体。
• Double secondary para-phenylenediamine compounds, dye compositions comprising same, and dyeing process using the compositions
  申请人：Radisson Xavier

  公开号：US20060053569A1

  公开（公告）日：2006-03-16

  The present disclosure relates to double secondary para-phenylenediamine dye compounds. The present disclosure further relates to a dye composition comprising at least one double secondary para-phenylenediamine compound, a process for dyeing keratin fibers using the composition, and a kit for dyeing keratin fibers comprising a separate composition comprising an oxidizing agent.

  本公开涉及双二次对苯二胺染料化合物。本公开进一步涉及一种染料组合物，包括至少一种双二次对苯二胺化合物，以及使用该组合物染色角蛋白纤维的工艺，以及包括氧化剂的分离组合物的角蛋白纤维染色工具包。
• Tertiary p-phenylenediamines, dyes compositions, and dyeing processes
  申请人：Metais Eric

  公开号：US20050132507A1

  公开（公告）日：2005-06-23

  The disclosure provides para-phenylenediamine compounds, dye compositions comprising the para-phenylenediamines, and processes for dyeing keratin fibers using the compositions.

  该披露提供了对苯二胺化合物、包含对苯二胺的染料组合物，以及使用这些组合物染色角蛋白纤维的方法。