2-methoxy-N¹-methylbenzene-1,4-diamine | 56331-15-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-methoxy-N¹-methylbenzene-1,4-diamine
• 英文别名: 2-methoxy-N¹-methyl-p-phenylenediamine；2-Methoxy-N¹-methyl-p-phenylendiamin；5-Amino-2-methylamino-phenol-methylaether；5-Amino-2-methylamino-anisol；2-methoxy-1-N-methylbenzene-1,4-diamine
• CAS: 56331-15-8
• 化学式: C₈H₁₂N₂O
• 分子量: 152.196
• InChiKey: MMQPGHVKPBDZLV-UHFFFAOYSA-N

物化性质

• 沸点：
  280.8±20.0 °C(Predicted)
• 密度：
  1.125±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  47.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-methoxy-N¹-methylbenzene-1,4-diamine 在 potassium dichromate 、 sodium sulfide 、 potassium carbonate 、 sodium thiosulfate 、 溶剂黄146 作用下， 生成 N-(5-methoxy-2-methyl-benzothiazol-6-yl)-N-methyl-acetamide
  参考文献：
  名称：

  Lewkoew et al., Zhurnal Obshchei Khimii, 1954, vol. 24, p. 280,285;engl.Ausg.S.283,287

  摘要：

  DOI：
• 作为产物：
  描述：

  2-methoxy-4-nitro-N-methylaniline 在 盐酸 、 tin 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以87%的产率得到2-methoxy-N¹-methylbenzene-1,4-diamine
  参考文献：
  名称：

  结合实验和理论方法开发优化的发光碳甲酰苯乙烯

  摘要：

  描述了迄今观察到的最长的吸收和发射波长的新咔唑（喹啉-2（1 H）-ones）的合成和光物理数据。引入6-氨基，7-MeO和4-（CF 3）取代基使我们能够将吸收和荧光最大值分别提高到414和557 nm。在半经验和从头算计算的支持下，6,7-（1,4-二嗪）融合的羧甲基苯乙烯23b在最大440 nm处显示最大吸收，量子产率高达0.9，并且斯托克斯位移大（> 100 nm） ），可与已知的最佳香豆素生色团相比。新的荧光团在pH值6到10之间都不是pH敏感的，也不易受O 2的影响。淬火。在pH 3时，发出的光呈绿白色，这是由于质子化的三个不同阶段引起的。

  DOI：

  10.1002/hlca.200490009

文献信息

• TSH receptor antagonizing tetrahydroquinoline compounds
  申请人：Karstens Willem Frederik Johan

  公开号：US20110172267A1

  公开（公告）日：2011-07-14

  The present invention relates the use of a compound, a pharmaceutical composition, compounds and a kit for treating or preventing disorders in a mammal responsive to TSH receptor mediated pathways, including disorders such as hyperthyroidism, Graves' disease, Graves Ophthalmopathy, Graves' associated pretibial dermopathy, nodular goitre and thyroid cancer comprising administering to said mammal an effective amount of a tetrahydroquinoline compound of Formula (I) or an pharmaceutically acceptable salt thereof.

  本发明涉及使用一种化合物，一种药物组合物，化合物和用于治疗或预防哺乳动物中对TSH受体介导途径有反应的疾病的工具包，包括过度活跃甲状腺，格雷夫斯病，格雷夫斯眼病，格雷夫斯相关的胫骨前皮肤病，结节性甲状腺肿和甲状腺癌，其包括向该哺乳动物施加有效量的公式（I）的四氢喹啉化合物或其药学上可接受的盐。
• [EN] BICYCLIC COMPOUNDS FOR USE IN THE TREATMENT CANCER<br/>[FR] COMPOSÉS BICYCLIQUES DESTINÉS À ÊTRE UTILISÉS DANS LE TRAITEMENT DU CANCER
  申请人：SCORPION THERAPEUTICS INC

  公开号：WO2022072634A1

  公开（公告）日：2022-04-07

  This disclosure provides chemical entities (e.g., a compound or a pharmaceutically acceptable salt, and/or hydrate, and/or cocrystal, and/or drug combination of the compound) that inhibit epidermal growth factor receptor (EGFR, ERBB1) and/or Human epidermal growth factor receptor 2 (HER2, ERBB2). These chemical entities are useful, e.g., for treating a condition, disease or disorder in which increased (e.g., excessive) EGFR and/or HER2 activation contributes to the pathology and/or symptoms and/or progression of the condition, disease or disorder (e.g., cancer) in a subject (e.g., a human). This disclosure also provides compositions containing the same as well as methods of using and making the same.

  本公开提供化学实体（例如，化合物或药学上可接受的盐，和/或水合物，和/或共晶体，和/或药物组合物），其抑制表皮生长因子受体（EGFR，ERBB1）和/或人类表皮生长因子受体2（HER2，ERBB2）。这些化学实体是有用的，例如，用于治疗某种疾病或疾病，其中增加（例如，过度）EGFR和/或HER2激活有助于病理和/或症状和/或疾病或疾病的进展（例如，癌症）在受试者（例如，人类）中。本公开还提供包含相同化学实体的组合物以及使用和制备相同的方法。
• Hair treatment composition
  申请人：UNILEVER PLC

  公开号：EP0146350A2

  公开（公告）日：1985-06-26

  @ A product for colouring and simultaneously conditioning the hair comprises two separately packaged components, an oxidiser and a base, which are intended to be mixed before application to the hair. The oxidiser component includes an oxidising agent and a mono-long-chain quaternary ammonium conditioning agent, and the base component includes an oxidation hair dye intermediate and ammonia to adjust the pH of the base component to a value of from 10 to 12.

  一种用于染发并同时调理头发的产品包括两种独立包装的成分，一种是氧化剂，另一种是基剂，这两种成分需要在涂抹头发之前混合。氧化剂成分包括一种氧化剂和一种单长链季铵盐调理剂，基质成分包括一种氧化染发剂中间体和氨，用于将基质成分的 pH 值调节到 10 至 12。
• [EN] ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD AND USE THEREOF<br/>[FR] COMPOSÉ CONTRE LE VIRUS DE LA GRIPPE, SON PROCÉDÉ DE PRÉPARATION ET SON UTILISATION<br/>[ZH] 抗流感病毒化合物及其制备方法和用途
  申请人：SICHUAN HAISCO PHARMACEUTICAL CO LTD

  公开号：WO2021032209A1

  公开（公告）日：2021-02-25

  涉及作为Hemagglutinin抑制剂的式(I-a)化合物、其异构体或其药学上可接受的盐，及其制备方法。所述化合物用于制备治疗与Hemagglutinin相关的疾病的药物。
• Structure−Activity Relationships for the Antileishmanial and Antitrypanosomal Activities of 1‘-Substituted 9-Anilinoacridines
  作者：Swarna A. Gamage、David P. Figgitt、Stanley J. Wojcik、Raymond K. Ralph、Adriana Ransijn、Jacques Mauel、Vanessa Yardley、Diane Snowdon、Simon L. Croft、William A. Denny

  DOI：10.1021/jm970232h

  日期：1997.8.1

  Members of the class of 9-anilinoacridine topoisomerase II inhibitors bearing lipophilic electron-donating 1'-anilino substituents are active against both the promastigote and amastigote forms of the parasite Leishmania major. A series of analogues of the known 1'-NHhexyl lead compound were prepared and evaluated against L. major in macrophage culture to further develop structure-activity relationships (SAR). Toxicity toward mammalian cells was measured in a human leukemia cell line, and the ratio of the two IC50 values (IC50(J)/IC50(L)) was used as a measure of the in vitro therapeutic index (IVTI). A 3,6-diNMe(2) substitution pattern on the acridine greatly increased toxicity to L. major without altering mammalian toxicity, increasing IVTIs over that of the lead compound. The 2-OMe, 6-Cl acridine substitution pattern used in the antimalarial drug mepacrine also resulted in potent antileishmanial activity and high IVTIs. Earlier suggestions of the utility of 2'-OR groups in lowering mammalian cytotoxicity were not borne out in this wider study. A series of very lipophilic 1'-NRR (symmetric dialkylamino)-substituted analogues showed relatively high antileishmanial potency, but no clear trend was apparent across the series, and none were superior to the 1'-NH(CH2)(5)Me subclass. Subsets of the most active 1'-N(R)(CH2)(5)Me- and 1'-N(alkyl)(2)-substituted compounds against L. major were also evaluated against Leishmania donovani, Trypanosoma cruzi, and Trypanosoma brucei, but no consistent SAR could be discerned in these physiologically diverse test systems. The present study has confirmed earlier conclusions that lipophilic electron-donating groups at the 1'-position of 9-anilinoacridines provide high activity against L. major, but the SAR patterns observed do not carry over to the other parasites studied.