4-氨基-3-(甲氨基)苯甲酸 | 66630-74-8

• 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: 4-氨基-3-(甲氨基)苯甲酸
• 英文名称: 4-amino-3-(methylamino)benzoic acid
• CAS: 66630-74-8
• 化学式: C₈H₁₀N₂O₂
• 分子量: 166.18
• InChiKey: GVPYLEGOTIRSCC-UHFFFAOYSA-N

物化性质

• 沸点：
  392.0±37.0 °C(Predicted)
• 密度：
  1.343±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  75.4
• 氢给体数：
  3
• 氢受体数：
  4

安全信息

• 海关编码：
  2922499990

反应信息

• 作为反应物：
  描述：

  4-氨基-3-(甲氨基)苯甲酸 在 potassium carbonate 、 对甲苯磺酸 、 sodium hydrogensulfite 、 三乙胺 作用下， 以 乙醇 、 水 、 乙酸乙酯 为溶剂， 生成 N-[[2-[[[4-(氨基亚氨基甲基)苯基]氨基]甲基]-1-甲基-1H-苯并咪唑-5-基]羰基]-N-2-吡啶基-beta-丙氨酸乙酯 4-甲基苯磺酸盐
  参考文献：
  名称：

  一种非肽类凝血酶抑制剂达比加群酯的制备方法

  摘要：

  本发明公开了一种非肽类凝血酶抑制剂达比加群酯的制备方法，属于药物化学技术领域。本发明的技术方案要点为：一种非肽类凝血酶抑制剂达比加群酯的制备方法，其合成路线为：本发明反应条件温和、收率较高、成本低廉且适合产业化生产。

  公开号：

  CN109232535A
• 作为产物：
  描述：

  3-(甲基氨基)-4-硝基苯甲酸 在 palladium on activated charcoal 氢气 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 以96%的产率得到4-氨基-3-(甲氨基)苯甲酸
  参考文献：
  名称：

  Development of a scalable synthesis of a nonbasic inhibitor of the serine protease tryptase

  摘要：

  A chromatography-free process for the synthesis of a bis(benzimidazole)difluoromethane inhibitor of the serine protease tryptase is described. This synthesis features the introduction of the cm-difluoro moiety using the electrophilic fluorinating reagent N-fluoro-bis(phenylsulfonimide) as well as the stepwise introduction of both benzimidazole rings. A protocol for the destruction of reactive, process-related substances produced in the synthesis is also presented. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.04.149

文献信息

• Aromatase and Dual Aromatase-Steroid Sulfatase Inhibitors from the Letrozole and Vorozole Templates
  作者：Paul M. Wood、L. W. Lawrence Woo、Mark P. Thomas、Mary F. Mahon、Atul Purohit、Barry V. L. Potter

  DOI：10.1002/cmdc.201100145

  日期：2011.8.1

  Concurrent inhibition of aromatase and steroid sulfatase (STS) may provide a more effective treatment for hormone‐dependent breast cancer than monotherapy against individual enzymes, and several dual aromatase–sulfatase inhibitors (DASIs) have been reported. Three aromatase inhibitors with sub‐nanomolar potency, better than the benchmark agent letrozole, were designed. To further explore the DASI concept

  同时抑制芳香化酶和类固醇硫酸酯酶 (STS) 可能比针对单个酶的单一疗法更有效地治疗激素依赖性乳腺癌，并且已经报道了几种双重芳香化酶-硫酸酯酶抑制剂 (DASI)。设计了三种亚纳摩尔效力的芳香酶抑制剂，优于基准药物来曲唑。为了进一步探索 DASI 概念，在 JEG-3 细胞中设计了一系列新的来曲唑衍生的氨基磺酸盐和一种基于沃洛唑的氨基磺酸盐，并对其进行了生物学评估，以揭示结构-活性关系。在非手性和外消旋化合物中，2-溴-4-(2-(4-氰基苯基)-2-(1 H -1,2,4-三唑-1-基)乙基)苯基氨基磺酸酯是最有效的DASI（芳香化酶: IC 50 =0.87 n M ; STS: IC50 = 593 n M )。该化合物的酚前体的对映异构体通过手性 HPLC 分离，并通过 X 射线晶体学确定它们的绝对构型。在转化为相应的氨基磺酸盐后，发现S -(+)-对映异构体最有效地抑制芳香酶和硫酸酯酶（芳香酶：IC
• Novel compounds and compositions for treating diseases asociated with protease activity
  申请人：——

  公开号：US20010053779A1

  公开（公告）日：2001-12-20

  Novel compounds, compositions and methods effective for the prevention and treatment of mast-cell mediated inflammatory disorders are described. The compounds, compositions and methods are effective for the prevention and treatment of inflammatory diseases associated with the respiratory tract, such as asthma and allergic rhinitis, as well as other types of immunomediated inflammatory disorders, such as rheumatoid arthritis, conjunctivitis and inflammatory bowel disease, various dermatological conditions, as well as certain viral conditions. The compounds comprise potent and selective inhibitors of the mast cell protease tryptase. The compositions for treating these conditions include oral, inhalant, topical and parenteral preparations as well as devices comprising such preparations.

  描述了用于预防和治疗由肥大细胞介导的炎症性疾病的新化合物、组合物和方法。这些化合物、组合物和方法对预防和治疗与呼吸道相关的炎症性疾病（如哮喘和过敏性鼻炎）以及其他类型的免疫介导性炎症性疾病（如类风湿关节炎、结膜炎和炎症性肠病、各种皮肤病症以及某些病毒性疾病）有效。这些化合物包括对肥大细胞蛋白酶组胺酶的有效和选择性抑制剂。用于治疗这些疾病的组合物包括口服、吸入、局部和静脉制剂，以及包含这些制剂的装置。
• [EN] NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATING HEPATITIS C INFECTIONS<br/>[FR] NOUVEAUX COMPOSES ET COMPOSITIONS POUR LE TRAITEMENT DE L'HEPATITE C
  申请人：AXYS PHARM INC

  公开号：WO2000020400A1

  公开（公告）日：2000-04-13

  The present invention relates to novel biheterocyclic derivatives which are serine protease inhibitors; the pharmaceutically acceptable salts and N-oxides thereof; their uses as therapeutic agents and the methods of their making.

  本发明涉及一种新型的双杂环衍生物，它们是丝氨酸蛋白酶抑制剂；以及其药学上可接受的盐和N-氧化物；它们作为治疗剂的用途以及制备它们的方法。
• Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders
  申请人：Axys Pharmaceuticals, Inc.

  公开号：US20030212120A1

  公开（公告）日：2003-11-13

  Novel compounds, compositions and methods effective for the prevention and treatment of mast-cell mediated inflammatory disorders are described. The compounds, compositions and methods are effective for the prevention and treatment of inflammatory diseases associated with the respiratory tract, such as asthma and allergic rhinitis, as well as other types of immunomediated inflammatory disorders, such as rheumatoid arthritis, conjunctivitis and inflammatory bowel disease, various dermatological conditions, as well as certain viral conditions. The compounds comprise potent and selective inhibitors of the mast cell protease tryptase. The compositions for treating these conditions include oral, inhalant, topical and parenteral preparations as well as devices comprising such preparations.

  本发明描述了一种新型化合物、组合物和方法，用于预防和治疗由肥大细胞介导的炎症性疾病。这些化合物、组合物和方法对预防和治疗呼吸道相关的炎症性疾病，如哮喘和过敏性鼻炎，以及其他类型的免疫介导的炎症性疾病，如类风湿性关节炎、结膜炎和炎症性肠病、各种皮肤病和某些病毒性疾病均有效。这些化合物包括强效和选择性的肥大细胞蛋白酶酶抑制剂。治疗这些疾病的组合物包括口服、吸入、局部和静脉制剂，以及包含这些制剂的装置。
• CYCLOSPORIN DERIVATIVES
  申请人：Fischer Gunter

  公开号：US20140316104A1

  公开（公告）日：2014-10-23

  The present invention relates to novel cyclosporin derivatives that do not cross the cellular membrane. The compounds according to the invention are used in medicine, more particularly in the treatment/diagnosis of acute and chronic inflammatory diseases, viral infections, cancer, degenerative muscle diseases, neurodegenerative diseases and damage that is associated with calcium homeostasis impairment. The novel cyclosporin derivatives additionally have no immunosuppressive effect.

  本发明涉及一种新型环孢霉素衍生物，其不穿过细胞膜。本发明的化合物用于医学，特别是用于治疗/诊断急性和慢性炎症性疾病、病毒感染、癌症、退行性肌肉疾病、神经退行性疾病以及与钙稳态障碍相关的损伤。这些新型环孢霉素衍生物还没有免疫抑制作用。