HC 黄 NO. 15 | 138377-66-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: HC 黄 NO. 15
• 中文别名: HC黄NO.15
• 英文名称: 4-(2'-hydroxyethyl)amino-3-nitrobenzamide
• 英文别名: 4-((2-hydroxyethyl)amino)-3-nitrobenzamide；4-(β-hydroxyethylamino)-3-nitrobenzamide；4-(2-hydroxyethylamino)-3-nitrobenzamide；HC Yellow no. 15
• CAS: 138377-66-9
• 化学式: C₉H₁₁N₃O₄
• mdl: MFCD12172421
• 分子量: 225.204
• InChiKey: HWIFOTHJSSDGGC-UHFFFAOYSA-N

物化性质

• 沸点：
  436.7±40.0 °C(Predicted)
• 密度：
  1.467±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  121
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  HC 黄 NO. 15 在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以55%的产率得到3-amino-4-((2-hydroxyethyl)amino)benzamide
  参考文献：
  名称：

  Novel JAK1-selective benzimidazole inhibitors with enhanced membrane permeability

  摘要：

  The previously identified Janus kinase 1 (JAK1)-selective inhibitor, 1-(2-aminoethyl)-2-(piperidin-4-yl)-1H- benzo[d] imidazole-5-carboxamide (2), suffered from low cell permeability, which resulted in poor pharmacokinetic properties. In this study, by introducing less polar hydrogen bond donors at N-1 (a hydroxyalkyl or a methylaminoalkyl group) and C2 (a cyclohexanol group) positions, a series of novel benzimidazole derivatives were prepared, which exhibited selective JAK1 inhibitory activity (IC50 against JAK1 = 0.08-0.15 mu M; JAK1-selectivity = 26-40 fold vs JAK2, 12-23 fold vs JAK3, and 38-54 fold vs Tyk2) along with significantly increased lipophilicity (3.3-15.8 times) as well as membrane permeability (6.3-12 times). (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2016.05.078
• 作为产物：
  描述：

  4-氟-3-硝基苯甲酸 在 1-羟基-1H-苯并三唑铵盐 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 、 异丙醇 、 乙腈 为溶剂， 反应 9.0h， 生成 HC 黄 NO. 15
  参考文献：
  名称：

  Novel JAK1-selective benzimidazole inhibitors with enhanced membrane permeability

  摘要：

  The previously identified Janus kinase 1 (JAK1)-selective inhibitor, 1-(2-aminoethyl)-2-(piperidin-4-yl)-1H- benzo[d] imidazole-5-carboxamide (2), suffered from low cell permeability, which resulted in poor pharmacokinetic properties. In this study, by introducing less polar hydrogen bond donors at N-1 (a hydroxyalkyl or a methylaminoalkyl group) and C2 (a cyclohexanol group) positions, a series of novel benzimidazole derivatives were prepared, which exhibited selective JAK1 inhibitory activity (IC50 against JAK1 = 0.08-0.15 mu M; JAK1-selectivity = 26-40 fold vs JAK2, 12-23 fold vs JAK3, and 38-54 fold vs Tyk2) along with significantly increased lipophilicity (3.3-15.8 times) as well as membrane permeability (6.3-12 times). (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2016.05.078

文献信息

• COLORING AGENTS AND METHODS OF USE THEREOF
  申请人：Living Proof, Inc.

  公开号：US20160106648A1

  公开（公告）日：2016-04-21

  Dyes, compositions comprising dyes and methods for using the same are provided.

  染料、包含染料的组合物以及使用这些染料的方法。
• Symmetrical diazo compounds containing 2-pyridinium groups and a cationic or non-cationic linker, compositions comprising them, method of coloring, and device
  申请人：David Herve

  公开号：US20060156488A1

  公开（公告）日：2006-07-20

  The present disclosure relates to symmetrical cationic diazo compounds of formula (I), the resonance forms, and also the acid addition salts and/or the solvates thereof: The present disclosure further relates to dyeing compositions comprising such compounds as a direct dye in a medium appropriate for the dyeing of keratin fibers, and also to a method of coloring keratin fibers that employs this composition, and a multi-compartment kit containing such compositions.

  本公开涉及公式（I）的对称阳离子重氮化合物，其共振式形式，以及其酸盐和/或溶剂化合物：本公开还涉及包含此类化合物作为直接染料的染料组合物，在适用于染色角蛋白纤维的介质中，以及使用该组合物进行染色角蛋白纤维的方法，以及包含这种组合物的多室套件。
• [DE] NEUE THIAZOLYLMETHYL-PYRAZOLE, VERFAHREN ZU DEREN HERSTELLUNG SOWIE DEREN VERWENDUNG IN FÄRBEMITTELN FÜR KERATINFASERN<br/>[EN] NOVEL THIAZOLYLMETHYL PYRAZOLES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF IN DYES FOR KERATIN FIBERS<br/>[FR] NOUVEAUX THIAZOLYLMETHYLE-PYRAZOLES, PROCEDE DE REALISATION ET UTILISATION DANS DES COLORANTS POUR FIBRES DE KERATINE
  申请人：WELLA AG

  公开号：WO2004106332A1

  公开（公告）日：2004-12-09

  4,5-Diaminopyrazole der allgemeinen Formel (I), worin R eine geradkettige oder verzweigte eine Cl -C6-Alkylgruppe, eine unsubstituierte Phenylgruppe oder eine einfach oder mehrfach substituierte Phenylgruppe darstellt, worin die Substituenten an der Phenylgruppe unabhängig voneinander ausgewählt werden können aus einem Halogenatom, einer C1-C6-Carbonsäureestergruppe, einer geradkettigen oder verzweigten Cl -C6-Alkoxygruppe, einer durch ein oder zwei Heteroatome unterbrochenen geradkettigen oder verzweigten C1-C6-Alkoxygruppe, einer Hydroxyethoxygruppe, einer Dihydroxypropoxygruppe oder einer Nitrilgruppe; diese Verbindungen enthaltende Oxidationsfärbemittel für Keratinfasern sowie Verfahren zur Herstellung dieser Verbindungen.

  通用式（I）的4,5-二氨基吡唑衍生物，其中R代表一条直链或支链的Cl-C6烷基基团，一个未取代的苯基团或一个简单或多取代的苯基团，其中苯基团上的取代基可以独立地选择为卤素原子、一条直链或支链的Cl-C6烷氧基基团、一条被一个或两个杂原子中断的直链或支链的C1-C6烷氧基基团、羟基乙氧基基团、二羟基丙氧基基团或腈基；含有这些化合物的角蛋白纤维氧化染料以及制备这些化合物的方法。
• Dyeing processes comprising at least one multi-carbosite, multi-group coupling agent for wash-protecting the color of artificially dyed keratin fibers
  申请人：Lalleman Boris

  公开号：US20080313821A1

  公开（公告）日：2008-12-25

  Disclosed herein is a cosmetic process for wash-protecting the color of artificially dyed keratin fibers, comprising applying to the keratin fibers at least one composition comprising at least one multi-carbosite, multi-group coupling agent, the coupling agent being an electrophilic hydrocarbon-based compound comprising neither an aldehyde group, nor a carboxylic acid group, nor a formol-generating group, the coupling agent comprising at least two identical reactive groups, the reactive groups not being carried by the same atom, if said atom is a carbon atom, and the coupling agent having a molecular weight of less than 500 g/mol.

  本文揭示了一种用于保护人工染色角蛋白纤维颜色的化妆过程，包括将至少一种包含至少一种多羟基化合物的组合物应用于角蛋白纤维，该耦合剂是一种电泳烃基化合物，既不包含醛基，也不包含羧酸基，也不包含甲醛生成基团，该耦合剂包括至少两个相同的反应基团，这些反应基团不由同一原子携带，如果该原子是碳原子，则该耦合剂的分子量小于500克/摩尔。
• Cationic diazo compounds, compositions comprising them as direct dye, process for dyeing keratin fibers and device therefor
  申请人：Greaves Andrew

  公开号：US20060005327A1

  公开（公告）日：2006-01-12

  The present disclosure relates to cationic diazo compounds chosen from those of formula (I) and the acid addition salts thereof: Dye1-LK-Dye2 (I); and to dye compositions comprising the the compounds as direct dye, and also to a process for dyeing keratin fibers using this composition and a multi-compartment device.

  本公开涉及选择自式(I)的阳离子重氮化合物及其酸盐：Dye1-LK-Dye2（I）；以及包含这些化合物作为直接染料的染料组合物，还涉及使用该组合物和多室装置染色角蛋白纤维的方法。