2-amino-N-ethyl-5-nitrobenzamide | 32212-31-0

• 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-amino-N-ethyl-5-nitrobenzamide
• CAS: 32212-31-0
• 化学式: C₉H₁₁N₃O₃
• 分子量: 209.205
• InChiKey: DDMSDKCJYLXYLM-UHFFFAOYSA-N

物化性质

• 沸点：
  429.6±35.0 °C(Predicted)
• 密度：
  1.304±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-amino-N-ethyl-5-nitrobenzamide 在 sodium hydride 、 三乙胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 、 甲苯 、 mineral oil 为溶剂， 反应 38.0h， 生成 3-ethyl-1-(2-methoxyethyl)-6-nitro-1H-quinazoline-2,4-dione
  参考文献：
  名称：

  EP2975031

  摘要：

  公开号：
• 作为产物：
  描述：

  乙胺 、 2-氨基-5-硝基苯甲酸 在 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以93.32%的产率得到2-amino-N-ethyl-5-nitrobenzamide
  参考文献：
  名称：

  EP2975031

  摘要：

  公开号：

文献信息

• [EN] QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF<br/>[FR] DÉRIVÉS DE QUINAZOLINONES POUR LE TRAITEMENT DE LA STÉATOSE HÉPATIQUE NON ALCOOLIQUE, LEUR PRÉPARATION ET LEUR UTILISATION
  申请人：COUNCIL SCIENT IND RES

  公开号：WO2022003712A1

  公开（公告）日：2022-01-06

  The present invention described herein relates to a compound having Structure I for treating diseases and disorders for which inhibition or modulation of the Ubiquitin Ligase COP1 enzyme produces a physiologically beneficial response, in particular for the treatment of Non-Alcoholic Fatty Liver Disease (NAFLD). These compounds having Structure I arecapable of increasing the level of adipose triglyceride lipase (ATGL). Also provided is the process of preparing compounds having Structure I.

  本发明描述了一种具有结构I的化合物，用于治疗通过抑制或调节泛素连接酶COP1酶产生生理上有益反应的疾病和紊乱，特别是用于治疗非酒精性脂肪肝病（NAFLD）。这些具有结构I的化合物能够增加脂肪三酸甘油酯脂解酶（ATGL）的水平。还提供了制备具有结构I的化合物的方法。
• HETEROCYCLIC COMPOUND
  申请人：TAKEDA PHARMACEUTICAL COMPANY LIMITED

  公开号：US20160229814A1

  公开（公告）日：2016-08-11

  The present invention provides a heterocyclic compound having an RORγt inhibitory action. The present invention relates to a compound represented by the formula (I): wherein Ar is a the partial structure (1) to the partial structure (5), Q is a bivalent group selected from the group consisting of (Ia)-(If), and B is a ring optionally having substituent(s), or a salt thereof.

  本发明提供了一种具有RORγt抑制作用的杂环化合物。本发明涉及一种由式(I)表示的化合物：其中Ar是部分结构(1)到部分结构(5)，Q是从(Ia)-(If)组成的双价基团，B是一个环，可以具有取代基，或其盐。
• Yale,H.L., Journal of Heterocyclic Chemistry, 1971, vol. 8, p. 193 - 204
  作者：Yale,H.L.

  DOI：——

  日期：——
• Identification of novel quinazolinedione derivatives as RORγt inverse agonist
  作者：Yoshiyuki Fukase、Ayumu Sato、Yoshihide Tomata、Atsuko Ochida、Mitsunori Kono、Kazuko Yonemori、Keiko Koga、Toshitake Okui、Masashi Yamasaki、Yasushi Fujitani、Hideyuki Nakagawa、Ryoukichi Koyama、Masaharu Nakayama、Robert Skene、Bi-Ching Sang、Isaac Hoffman、Junya Shirai、Satoshi Yamamoto

  DOI：10.1016/j.bmc.2017.12.039

  日期：2018.2

  Novel small molecules were synthesized and evaluated as retinoic acid receptor-related orphan receptor-gamma t (ROR gamma t) inverse agonists for the treatment of inflammatory and autoimmune diseases. A hit compound, 1, was discovered by high-throughput screening of our compound library. The structure-activity relationship (SAR) study of compound 1 showed that the introduction of a chlorine group at the 3-position of 4-cyanophenyl moiety increased the potency and a 3-methylpentane-1,5-diamide linker is favorable for the activity. The carbazole moiety of 1 was also optimized; a quinazolinedione derivative 18i suppressed the increase of IL-17A mRNA level in the lymph node of a rat model of experimental autoimmune encephalomyelitis (EAE) upon oral administration. These results indicate that the novel quinazolinedione derivatives have great potential as orally available small-molecule ROR gamma t inverse agonists for the treatment of Th17-driven autoimmune diseases. A U-shaped bioactive conformation of this chemotype with ROR gamma t protein was also observed. (C) 2017 Elsevier Ltd. All rights reserved.
• Kratz, Journal fur praktische Chemie (Leipzig 1954), 1896, vol. <2> 53, p. 222
  作者：Kratz

  DOI：——

  日期：——