2,4-Diaminophenol;hydron;dichloride

• 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: 2,4-Diaminophenol;hydron;dichloride
• 化学式: C6H10Cl2N2O
• mdl: MFCD00012979
• 分子量: 197.06
• InChiKey: KQEIJFWAXDQUPR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.01
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  72.3
• 氢给体数：
  5
• 氢受体数：
  3

ADMET

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。 高铁血红蛋白血症 - 血液中高铁血红蛋白含量增加；该化合物被归类为第二毒性效应 皮肤致敏剂 - 能诱导皮肤过敏反应的制剂。

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. Methemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect 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

• 人类毒性摘录

见苯二胺。通过皮肤吸收和摄入会产生严重的局部反应和系统性影响。局部作用包括严重的皮炎和荨麻疹；在眼睛中，可能导致结膜炎、流泪、眼球突出、眼炎，甚至永久性失明。系统性作用包括哮喘、胃炎（无论进入途径如何）、血压升高、渗出至浆膜腔、眩晕、震颤、惊厥和昏迷。/苯二胺/

SEE PHENYLENEDIAMINE. PRODUCES SEVERE LOCAL REACTIONS & SYSTEMIC EFFECTS FROM PERCUTANEOUS ABSORPTION & FROM INGESTION. LOCAL ACTIONS INCLUDE SEVERE DERMATITIS & URTICARIA; IN THE EYE, CHEMOSIS, LACRIMATION, EXOPHTHALMOS, OPHTHALMIA, & EVEN PERMANENT BLINDNESS. SYSTEMIC ACTIONS INCLUDE ASTHMA, GASTRITIS (REGARDLESS OF PORTAL OF ENTRY), RISE IN BLOOD PRESSURE, TRANSUDATION INTO SEROUS CAVITIES, VERTIGO, TREMORS CONVULSIONS, & COMA. /PHENYLENEDIAMINE/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 非人类毒性摘录

2,4-二氨基苯酚二盐酸已经通过将兔眼用0.02摩尔（pH 5.3）的水溶液灌溉10分钟进行了测试，在去除角膜上皮以促进渗透后。这导致角膜基质产生深棕色染色，永久性角膜混浊和血管化。

2,4-DIAMINOPHENOL DIHYDROCHLORIDE HAS BEEN TESTED BY IRRIGATING A RABBIT EYE WITH 0.02 MOLAR (PH 5.3) AQUEOUS SOLUTION FOR 10 MINUTES, AFTER REMOVAL OF THE CORNEAL EPITHELIUM TO FACILITATE PENETRATION. THIS PRODUCED DARK BROWN STAINING OF THE CORNEAL STROMA, PERMANENT CORNEAL OPACIFICATION, & VASCULARIZATION.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 非人类毒性摘录

2,4-二氨基酚二氢氯化物在L5178Y TK+/TK-小鼠淋巴瘤正向突变试验中进行了其致突变潜力的评估，该试验采用了已建立的方法。在没有代谢激活的情况下进行了三次实验。在这些实验中测试的剂量水平范围为0-4微克/毫升。其中一个实验的结果被舍弃；然而，在剩余的两个实验中获得了显著的致突变反应。因此，2,4-二氨基酚二氢氯化物在这些测试中呈阳性，测试的最低有效剂量为2微克/毫升。

2,4-Diaminophenol dihydrochloride was evaluated for its mutagenic potential in the L5178Y TK+/TK- mouse lymphoma forward mutation assay using established procedures. Three experiments were conducted without metabolic activation. The dose levels tested in these experiments ranged from 0-4 ug/ml. Results from one experiment were discarded; however, significant mutagenic responses were obtained in the remaining two. Thus, 2,4-Diaminophenol dihyrochloride was positive in these tests and the lowest effective dose tested was 2 ug/ml.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 非人类毒性摘录

在这些为期2年的灌胃研究中，没有证据表明2,4-二氨基酚二氢chloride对接受12.5或25 mg/kg的F344/N雄性或雌性大鼠具有致癌活性。基于肾小管腺瘤发生率的增加，有证据表明2,4-二氨基酚二氢chloride对B6C3F1雄性小鼠具有致癌活性；没有证据表明2,4-二氨基酚二氢chloride对接受19或38 mg/kg的B6C3F1雌性小鼠具有致癌活性。

... Conclusions: Under the conditions of these 2 yr gavage studies, there was no evidence of carcinogenic activity of 2,4-diaminophenol dihydrochloride in male or female F344/N rats that received 12.5 or 25 mg/kg. There was some evidence of carcinogenic activity of 2,4-diaminophenol dihydrochloride in male B6C3F1 mice based on incr incidences of renal tubule adenomas; there was no evidence of carcinogenic activity of 2,4-diaminophenol dihydrochloride in female B6C3F1 mice that received 19 or 38 mg/kg.

来源:Hazardous Substances Data Bank (HSDB)

反应信息

• 作为反应物：
  描述：

  2,4-Diaminophenol;hydron;dichloride 、 甲基磺酰氯 以64%的产率得到
  参考文献：
  名称：

  AVDEENKO A. P.; EVGRAFOVA N. I.; MISHCHENKO A. I.; URIDA BELAMBRI HYP, ZH. ORGAN. XIMII, 23,(1987) N 1, 97-100

  摘要：

  DOI：
• 作为产物：
  描述：

  、 盐酸 、 2,4-二硝基酚 、 氢气 在 盐酸 作用下， 50.0 ℃ 、13.51 MPa 条件下， 反应 1.5h， 以there are obtained 3.9 g of 2,4-diaminophenol dihydrochloride which的产率得到2,4-Diaminophenol;hydron;dichloride
  参考文献：
  名称：

  Method for preparing 2,4-diaminolphenol or 2,4-diamonophenol

  摘要：

  一种制备2,4-二氨基苯酚或2,4-二氨基苯酚二盐酸盐的方法，包括在由90至98重量％的钯和2至10重量％的铑或钌合金制成的膜催化剂上对2,4-二硝基苯酚进行氢化。所述2,4-二硝基苯酚的氢化是通过氢气通过所述膜催化剂扩散来实现的。起始2,4-二硝基苯酚在水或4-37％盐酸水溶液的介质中使用，该介质中2,4-二硝基苯酚的浓度范围为2至50重量％。氢化在50℃至150℃的温度范围内，在1至60大气压下进行。该过程简单易行，使用简单设备，既可使用纯氢又可使用商业氢，能够消除废水的形成，并以高收率得到所需的产品：2,4-二氨基苯酚的收率高达93％，2,4-二氨基苯酚二盐酸盐的收率高达92％，按照起始2,4-二硝基苯酚计算。

  公开号：

  US04323708A1

文献信息

• PROCESS FOR THE PREPARATION OF AROMATIC AZOLE COMPOUNDS
  申请人：GOLDFINGER MARC B.

  公开号：US20140066629A1

  公开（公告）日：2014-03-06

  Aromatic azole compounds such as 2-(4-aminophenyl)-5-amino-benzimidazole are prepared in an organic sulfonic acid solvent instead of polyphosphoric acid. This allows recovery and recycle of the solvent and avoids the handling and environmental concerns resulting from the use of polyphosphoric acid. The resulting compounds find use in the pharmaceutical industry, as anticorrosion agents, and as precursors for high-performance fibers having high strength, stiffness, and flame resistance.

  芳香唑类化合物，如2-(4-氨基苯基)-5-氨基苯并咪唑，是在有机磺酸溶剂中制备的，而不是在聚磷酸中制备的。这样可以回收和循环溶剂，并避免使用聚磷酸所带来的处理和环境问题。所得的化合物在制药工业中被用作抗腐蚀剂，并作为高性能纤维的前体，具有高强度、刚度和阻燃性。
• [EN] COMPOUNDS FOR TREATMENT OF TRYPANOSOMES AND NEUROLOGICAL PATHOGENS AND USES THEREOF<br/>[FR] COMPOSÉS POUR TRAITER LES TRYPANOSOMES ET LES PATHOGÈNES NEUROLOGIQUES ET LEURS UTILISATIONS
  申请人：UNIV NORTH CAROLINA CHAPEL HILL

  公开号：WO2017127627A1

  公开（公告）日：2017-07-27

  The present invention relates to novel compounds that cross the blood-brain barrier and are effective inhibitors of neurological pathogens such as trypanosomes. The invention further relates to the use of these compounds for treating disorders related to trypanosomes and neurological pathogens.

  本发明涉及一种能穿过血脑屏障并有效抑制神经病原体如锥虫的新化合物。该发明还涉及利用这些化合物治疗与锥虫和神经病原体相关的疾病。
• ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF
  申请人：Fujifilm Corporation

  公开号：EP2202220A1

  公开（公告）日：2010-06-30

  [Problem to be Solved] To provide an acetylene compound having a structure in which a unit having an amino group and a unit having an ethynyl group are bonded via a linking group, the acetylene compound being introducable to a polymer having thermal resistance. [Means for Solving the Problem] An acetylene compound represented by the following Formula (1) and a salt thereof: wherein in Formula (1), X represents a single bond or a divalent linking group; A represents a hydrocarbon group, a heteroaromatic ring or a heteroalicyclic compound; B represents a hydrocarbon group, a heteroaromatic ring, a heteroalicyclic compound or a single bond; R1 represents a hydrogen atom, a hydrocarbon group, a heteroaromatic ring, a heteroalicyclic compound or a silyl group; R4 represents a hydrogen atom or a group that can be a substituent of an amino group; and m, n and a each independently represent an integer of 1 or greater.

  解决的问题是提供一种乙炔化合物，其结构中含有通过连接基团连接的具有氨基团和乙炔基团的单元，该乙炔化合物可引入到具有热阻抗的聚合物中。解决问题的方法是通过以下式（1）表示的乙炔化合物及其盐：其中在式（1）中，X代表单键或二价连接基团；A代表烃基团、杂环芳香环或杂环脂环化合物；B代表烃基团、杂环芳香环、杂环脂环化合物或单键；R1代表氢原子、烃基团、杂环芳香环、杂环脂环化合物或硅基团；R4代表氢原子或可作为氨基团的取代基团；m、n和a分别独立表示大于或等于1的整数。
• ANTICANCER SUPPLEMENT AGENT INCLUDING BENZO[D]OXAZOL DERIVATIVE AS EFFECTIVE INGREDIENT
  申请人：KOREA INSTITUTE OF RADIOLOGICAL & MEDICAL SCIENCES

  公开号：US20150197498A1

  公开（公告）日：2015-07-16

  Disclosed is an anticancer supplement agent including a benzo[d]oxazole derivative as an effective ingredient. The benzo[d]oxazole derivative, which is a nuclear factor E2-related factor 2 (Nrf2) inhibitor, is capable of inhibiting activity of Nrf2 that induces an antioxidant enzyme to remove reactive oxygen species (ROS) that kills a cancer cell, thereby increasing production of ROS. Therefore, the benzo[d]oxazole derivative can be used as an anticancer supplement agent that shows therapeutic effects in anticancer agent therapy or radiation therapy, and in this regard, the benzo[d]oxazole derivative can overcome tolerance of the cancer cell to anticancer agent therapy or radiation therapy and enhance apoptotic effects on the cancer cell.

  本披露了一种抗癌补充剂，其包括一种苯并[d]噁唑衍生物作为有效成分。该苯并[d]噁唑衍生物是一种核因子E2相关因子2（Nrf2）抑制剂，能够抑制Nrf2的活性，从而诱导抗氧化酶去除杀死癌细胞的活性氧自由基（ROS），进而增加ROS的产生。因此，该苯并[d]噁唑衍生物可作为一种抗癌补充剂使用，展现出在抗癌药物治疗或放射治疗中的治疗效果。在这方面，该苯并[d]噁唑衍生物可以克服癌细胞对抗癌药物治疗或放射治疗的耐受性，并增强对癌细胞的凋亡效应。
• [EN] DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY<br/>[FR] COMBINAISONS DE MÉDICAMENTS POUR LE TRAITEMENT DE LA DYSTROPHIE MUSCULAIRE DE DUCHENNE
  申请人：SUMMIT CORP PLC

  公开号：WO2009019504A1

  公开（公告）日：2009-02-12

  Combinations comprising (or consisting essentially of) one or more compounds of formula (1) with one or more ancillary agents, to processes for preparing the combinations, and to various therapeutic uses of the combinations. Also provided are pharmaceutical compositions containing the combinations as well as a method of treatment of Duchenne muscular dystrophy, Becker muscular dystrophy or cachexia using the combinations.

  本发明涉及与一种或多种公式（1）化合物和一种或多种辅助剂组成的组合物（或基本上由其组成的组合物），以及制备该组合物的方法，以及该组合物的多种治疗用途。还提供了含有该组合物的制药组合物以及使用该组合物治疗杜氏肌肉萎缩症，贝克肌肉萎缩症或消瘦症的方法。

表征谱图