1-叔丁基-3-[2-(4-甲基苯胺基)-5-硝基苯基]磺酰脲 | 284464-83-1

• 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: 1-叔丁基-3-[2-(4-甲基苯胺基)-5-硝基苯基]磺酰脲
• 英文名称: BM 573
• 英文别名: BM-573；Benzenesulfonamide, N-(((1,1-dimethylethyl)amino)carbonyl)-2-((4-methylphenyl)amino)-5-nitro-；1-tert-butyl-3-[2-(4-methylanilino)-5-nitrophenyl]sulfonylurea
• CAS: 284464-83-1
• 化学式: C₁₈H₂₂N₄O₅S
• 分子量: 406.462
• InChiKey: SILRUCMXYIKULW-UHFFFAOYSA-N

物化性质

• 熔点：
  126-127 °C(Solv: methanol (67-56-1))
• 密度：
  1.327±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  142
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-氯-5-硝基苯胺 在 盐酸 、 ammonium hydroxide 、 sodium hydroxide 、 sodium nitrite 作用下， 以 丙酮 为溶剂， 反应 0.17h， 生成 1-叔丁基-3-[2-(4-甲基苯胺基)-5-硝基苯基]磺酰脲
  参考文献：
  名称：

  Synthesis and Pharmacological Evaluation of Novel Nitrobenzenic Thromboxane Modulators as Antiplatelet Agents Acting on Both the Alpha and Beta Isoforms of the Human Thromboxane Receptor

  摘要：

  Thromboxane A(2) ( TXA(2)) is an arachidonic acid metabolite involved in pathologies such as stroke, myocardial infarction, and atherosclerosis. Consequently, the design of TXA2 receptor ( TP) antagonists remains of great interest in cardiovascular medicine. The actions of TXA2 are mediated by its specific G-protein coupled receptor of which two alternative spliced isoforms, TP alpha and TP beta, have been described in humans. In this study, we report the synthesis of a series of original N-alkyl-N'-[2-( cycloalkyl, alkylaryl)-5-nitrobenzenesulfonyl] urea and N-alkyl-N'-[ 2-( alkylaryl)-5-nitrobenzenesulfonyl]-N"-cyanoguanidines and outline their pharmacological evaluation using the individual TP alpha and TP beta isoforms. Among compounds analyzed, several of them exhibited greater affinity and/or functional activity for either TP alpha or TP beta. The most promising molecules were also found to be antiplatelet agents. From the present results, structural features involved in isoform selectivity can be proposed, and thereby several lead compounds have been identified for the further development of selective TP isoform antagonists.

  DOI：

  10.1021/jm060108a

文献信息

• METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS AND VIRAL INFECTIONS
  申请人：University College Dublin, National University of Ireland, Dublin

  公开号：US20160102051A1

  公开（公告）日：2016-04-14

  The invention generally relates to methods and compounds for treating proliferative disorders, viral infections, or both. In some embodiments, the invention provides an anticancer or antiviral compound including a substituted nitro phenoxy phenyl, a sulfonylurea, and an alkyl group. In some embodiments, the invention provides a method of treating a proliferative disorder or a viral infection including administering an anticancer or antiviral compound that binds to a thromboxane receptor, has preferential binding for either TPalpha (TPα) or TPbeta (TPβ) receptor subtype.

  这项发明通常涉及用于治疗增殖性疾病、病毒感染或两者的方法和化合物。在某些实施例中，该发明提供了一种抗癌或抗病毒化合物，包括一种取代硝基苯氧基苯基、磺酰脲和烷基。在某些实施例中，该发明提供了一种治疗增殖性疾病或病毒感染的方法，包括给予一种结合到血栓素A2受体、对TPalpha（TPα）或TPbeta（TPβ）受体亚型具有优先结合的抗癌或抗病毒化合物。
• Spirocyclic Heterocycles Medicaments Containing Said Compounds, Use Thereof And Method For Their Production
  申请人：Himmelsbach Frank

  公开号：US20110046148A1

  公开（公告）日：2011-02-24

  The present invention relates to spirocyclic heterocycles of general formula (I) the tautomers, the stereoisomers, the mixtures thereof and the salts thereof, particularly the physiologically acceptable salts thereof with inorganic or organic acids, which have valuable pharmacological properties, particularly an inhibitory effect on signal transduction mediated by tyrosine kinases, the use thereof for the treatment of diseases, particularly tumoral diseases as well as benign prostatic hyperplasia (BPH), diseases of the lungs and airways, and the preparation thereof.

  本发明涉及一般式(I)的螺环杂环化合物，其包括其互变异构体、立体异构体、它们的混合物和盐，特别是与无机或有机酸形成的生理上可接受的盐，具有有价值的药理特性，特别是对酪氨酸激酶介导的信号传导具有抑制作用，其用于治疗疾病，特别是肿瘤性疾病以及良性前列腺增生（BPH）、肺部和气道疾病，以及其制备方法。
• THROMBOXANE RECEPTOR ANTAGONISTS
  申请人：University College Dublin, National University of Ireland, Dublin

  公开号：US20160016900A1

  公开（公告）日：2016-01-21

  The invention generally relates to compounds that function as TP antagonists for treating thrombosis and other cardiovascular, renal, or pulmonary diseases. In some embodiments, the invention provides a compound including a substituted nitro phenoxy phenyl, a sulfonylurea, and an alkyl group. In some embodiments, the invention provides a method of treating thrombosis by administering an antithrombotic compound that preferentially binds to a thromboxane receptor, has preferential binding for either TPalpha (TPα) or TPbeta (TPβ) receptor subtype.

  本发明通常涉及用于治疗血栓形成和其他心血管、肾脏或肺部疾病的TP拮抗剂化合物。在某些实施例中，本发明提供了一种化合物，包括取代硝基苯氧基苯基、磺酰脲和烷基。在某些实施例中，本发明提供了一种治疗血栓形成的方法，通过给予具有选择性结合到血栓素A2受体的抗血栓化合物，该抗血栓化合物具有对TPα或TPβ受体亚型的优先结合。
• Inhalator and capsule for an inhalator
  申请人：Dunne Stephen Terence

  公开号：US10220165B2

  公开（公告）日：2019-03-05

  The invention relates to a capsule for receiving a preferably powdered pharmaceutical preparation and an inhaler in which, for inhalation, the preparation is expelled from the capsule through at least one hole. A capsule according to the invention comprises as capsule elements a capsule cap and a capsule body, at least one of which comprises at least one prefabricated hole. Systems according to the invention comprising inhalers and capsules are described, in which the prefabricated hole in the capsule is sealed off in the transporting state of the system and is open in the usage state. The hole is exposed by actuation of a pushing or pulling mechanism. Prior to this the hole is closed off by part of the capsule itself or by a capsule receptacle belonging to the inhaler. In one embodiment the capsule may be present in two different states, for example in different insertion positions of the capsule elements. In the first state the prefabricated hole is closed off and in the second it is exposed. Another system according to the invention consists of a capsule body open at the top and an inhaler, the capsule that is open at the top being filled inside the inhaler.

  本发明涉及一种用于接收粉末状药物制剂的胶囊和一种吸入器，在吸入时，药物制剂通过至少一个孔从胶囊中排出。根据本发明，胶囊由胶囊盖和胶囊体组成，其中至少一个胶囊盖和胶囊体包括至少一个预制孔。 根据本发明描述了由吸入器和胶囊组成的系统，其中胶囊中的预制孔在系统的运输状态下是密封的，而在使用状态下是打开的。在推拉机构的作用下，孔被打开。在此之前，胶囊本身的一部分或属于吸入器的胶囊容器将孔封闭。 在一个实施方案中，胶囊可以处于两种不同的状态，例如胶囊元件的不同插入位置。在第一种状态下，预制孔是封闭的，而在第二种状态下，预制孔是暴露的。 根据本发明，另一种系统包括一个顶部开口的胶囊体和一个吸入器，顶部开口的胶囊填充在吸入器内。
• SPIROCYCLISCHE HETEROCYCLEN, DIESE VERBINDUNGEN ENTHALTENDE ARZNEIMITTEL, DEREN VERWENDUNG UND VERFAHREN ZU IHRER HERSTELLUNG
  申请人：Boehringer Ingelheim International GmbH

  公开号：EP2245026A1

  公开（公告）日：2010-11-03