1-[[5-甲氧基-2-(2-噻吩基)-4-喹唑啉基]氨基]-3-甲基-1H-吡咯-2,5-二酮 | 219773-55-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: 1-[[5-甲氧基-2-(2-噻吩基)-4-喹唑啉基]氨基]-3-甲基-1H-吡咯-2,5-二酮
• 中文别名: 1-[5-甲氧基-2-(2-噻吩)喹唑啉-4-基氨基]-3-甲基-3-吡咯啉-2,5-二酮
• 英文名称: 1-(5-methoxy-2-thiophen-2-yl-quinazolin-4-ylamino)-3-methyl-pyrrole-2,5-dione
• 英文别名: SPC-839；1-(5-methoxy-2-(thiophen-2-yl)quinazolin-4-ylamino)-3-methyl-1H-pyrrole-2,5-dione；1-[(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)amino]-3-methylpyrrole-2,5-dione
• CAS: 219773-55-4
• 化学式: C₁₈H₁₄N₄O₃S
• 分子量: 366.4
• InChiKey: GZGLPBNOIFLLRE-UHFFFAOYSA-N

物化性质

• 沸点：
  486.5±55.0 °C(Predicted)
• 密度：
  1.475

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  113
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1-[[5-甲氧基-2-(2-噻吩基)-4-喹唑啉基]氨基]-3-甲基-1H-吡咯-2,5-二酮 在 10% Pd/C 、 氢气 作用下， 以 乙酸乙酯 为溶剂， 以80%的产率得到1-[(5-Methoxy-2-thiophen-2-ylquinazolin-4-yl)amino]-3-methylpyrrolidine-2,5-dione
  参考文献：
  名称：

  Discovery of novel small molecule cell type-specific enhancers of NF-κB nuclear translocation

  摘要：

  An IKK beta inhibitor reported to block NF-kappa B transcriptional activities in Jurkat T cells, was found to enhance NF-kappa B translocation in HUVEC cells. These studies suggested a noncanonical NF-kappa B signaling pathway independent of IKK beta in HUVEC cells. (C) 2009 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2008.12.086
• 作为产物：
  描述：

  5-Methoxy-2-thiophen-2-yl-3H-quinazolin-4-one 在 肼 、 三氯氧磷 作用下， 以 四氢呋喃 、 氯仿 为溶剂， 反应 16.0h， 生成 1-[[5-甲氧基-2-(2-噻吩基)-4-喹唑啉基]氨基]-3-甲基-1H-吡咯-2,5-二酮
  参考文献：
  名称：

  The design and synthesis of novel orally active inhibitors of AP-1 and NF-κB mediated transcriptional activation. SAR of In vitro and In vivo studies

  摘要：

  We have developed novel orally active quinazoline analogues as inhibitors of AP-1 and NF-kappaB mediated transcriptional activation. Among the derivatives prepared, 1-[2-(2-thienyl)quinazolin-4-ylamino]-3-methyl-3-pyrroline-2,5-dione (10) showed significant activity in an adjuvant-induced arthritis rat model by reducing the swelling by 65% in the non-injected foot. The synthesis, structure-activity relationship, and in vivo activity are described. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.08.047

文献信息

• [EN] QUINAZOLINE ANALOGS AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS<br/>[FR] ANALOGUES DE QUINAZOLINE ET COMPOSES ASSOCIES ET METHODES POUR TRAITER LES TROUBLES INFLAMMATOIRES
  申请人：SIGNAL PHARMACEUTICALS, INC.

  公开号：WO1999001441A1

  公开（公告）日：1999-01-14

  (EN) Compounds having utility as anti-inflammatory agents in general and, more specifically, for the prevention and/or treatment of immunoinflammatory and autoimmune diseases are disclosed. The compounds are quinazoline-containing compounds. Methods are also disclosed for preventing and/or treating inflammatory conditions by administering to an animal in need thereof an effective amount of a compound of this invention, preferably in the form of a pharmaceutical composition.(FR) L'invention concerne des composés utiles de manière générale comme agents anti-inflammatoires et plus spécifiquement comme agents préventifs et/ou thérapeutiques pour les maladies immuno-inflammatoires et auto-immunes. Ces composés contiennent de la quinazoline. L'invention concerne également de méthodes pour prévenir et/ou traiter les états inflammatoires en administrant à un animal nécessitant un tel traitement une quantité efficace d'un des composés décrits, de préférence sous forme d'une composition pharmaceutique.

  该发明涉及一种具有抗炎作用的化合物，可用于预防和/或治疗免疫炎症和自身免疫疾病。这些化合物含有喹唑啉。本发明还揭示了通过向需要治疗的动物施用本发明的化合物的有效量，尤其是以药物组成物的形式，以预防和/或治疗炎症状况的方法。
• AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS
  申请人：LICHTER Jay

  公开号：US20090306225A1

  公开（公告）日：2009-12-10

  Disclosed herein are compositions and methods for the treatment of otic disorders with immunomodulating agents and auris pressure modulators. In these methods, the auris compositions and formulations are administered locally to an individual afflicted with an otic disorder, through direct application of the immunomodulating and/or auris pressure modulating compositions and formulations onto the auris media and/or auris interna target areas, or via perfusion into the auris media and/or auris interna structures.

  本文公开了使用免疫调节剂和耳压调节剂治疗耳部疾病的组合物和方法。在这些方法中，通过将免疫调节剂和/或耳压调节剂组合物和配方直接应用于耳媒介和/或耳内靶区，或通过灌注进入耳媒介和/或耳内结构，局部给患有耳部疾病的个体进行治疗。
• Auris Formulations for Treating Otic Diseases and Conditions
  申请人：Otonomy, Inc.

  公开号：US20160228357A1

  公开（公告）日：2016-08-11

  Disclosed herein are compositions and methods for the treatment of otic disorders with immunomodulating agents and auris pressure modulators. In these methods, the auris compositions and formulations are administered locally to an individual afflicted with an otic disorder, through direct application of the immunomodulating and/or auris pressure modulating compositions and formulations onto the auris media and/or auris interna target areas, or via perfusion into the auris media and/or auris interna structures.

  本文介绍了使用免疫调节剂和耳压调节剂治疗耳部疾病的组合物和方法。在这些方法中，通过直接将免疫调节剂和/或耳压调节剂组合物和配方局部应用于患有耳部疾病的个体的耳媒体和/或耳内靶区，或通过灌注到耳媒体和/或耳内结构中。
• Auris formulations for treating otic diseases and conditions
  申请人：Otonomy, Inc.

  公开号：US10272034B2

  公开（公告）日：2019-04-30

  Disclosed herein are compositions and methods for the treatment of otic disorders with immunomodulating agents and auris pressure modulators. In these methods, the auris compositions and formulations are administered locally to an individual afflicted with an otic disorder, through direct application of the immunomodulating and/or auris pressure modulating compositions and formulations onto the auris media and/or auris interna target areas, or via perfusion into the auris media and/or auris interna structures.

  本文公开了使用免疫调节剂和耳压调节剂治疗耳部疾病的组合物和方法。在这些方法中，通过将免疫调节剂和/或免疫调节压力调节剂组合物和制剂直接施用到耳道介质和/或耳道间质目标区域，或通过灌注到耳道介质和/或耳道间质结构中，对耳道疾病患者进行局部给药。
• Compositions and methods for treating cancer
  申请人：CASE WESTERN RESERVE UNIVERSITY

  公开号：US10744141B2

  公开（公告）日：2020-08-18

  A method of treating cancer in a subject in need thereof includes administering to the subject therapeutically effective amounts of a PP2A activator and a protein kinase inhibitor.

  一种治疗有需要的受试者癌症的方法，包括向受试者施用治疗有效量的 PP2A 激活剂和蛋白激酶抑制剂。