Urocanic acid chloride | 91788-89-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: Urocanic acid chloride
• 英文别名: (E)-3-(1H-imidazol-5-yl)prop-2-enoyl chloride
• CAS: 91788-89-5
• 化学式: C₆H₅ClN₂O
• 分子量: 156.572
• InChiKey: MWDBOEBUMJNXER-OWOJBTEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  45.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  Urocanic acid chloride 在 三乙胺 作用下， 以 甲苯 为溶剂， 反应 72.0h， 生成 (E)-3-(1-phenacyl-1H-imidazol-4-yl)-2-propenoic acid ethyl ester
  参考文献：
  名称：

  3-（1 H-咪唑-4-基）-2-丙酸乙酯的选择性N-甲基化

  摘要：

  报道了3-（1H-咪唑-4-基）-2-丙酸的乙酯的氮原子的选择性甲基化的方法。用苯甲酰基保护β氮后，烯键上的氮原子α被甲基化。

  DOI：

  10.1002/jhet.5570290643
• 作为产物：
  描述：

  反式尿刊酸 在 氯化亚砜 、 三乙胺 作用下， 以 甲苯 为溶剂， 反应 18.0h， 生成 Urocanic acid chloride
  参考文献：
  名称：

  3-（1 H-咪唑-4-基）-2-丙酸乙酯的选择性N-甲基化

  摘要：

  报道了3-（1H-咪唑-4-基）-2-丙酸的乙酯的氮原子的选择性甲基化的方法。用苯甲酰基保护β氮后，烯键上的氮原子α被甲基化。

  DOI：

  10.1002/jhet.5570290643

文献信息

• Anticoagulant contrast media
  申请人：Melton J. Laura

  公开号：US20050281746A1

  公开（公告）日：2005-12-22

  The present invention provides novel anticoagulant contrast agents, which comprise an organic scaffolding moiety, an organic anticoagulant moiety, and an imaging moiety. The invention also provides anticoagulant contrast media and methods of visualizing internal structures utilizing the novel anticoagulant contrast agents and anticoagulant contrast media.

  本发明提供了一种新型抗凝对比剂，包括有机支架基团、有机抗凝基团和成像基团。该发明还提供了抗凝对比介质和利用新型抗凝对比剂和抗凝对比介质来可视化内部结构的方法。
• AMIDE COMPOUNDS, METHODS FOR PREPARATION, AND USE THEREOF AS AGENTS FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY RNA- AND/OR DNA-CONTAINING VIRUSES, AND CONCOMITANT DISEASES
  申请人：OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTIYU "PHARMENTERPRISES"

  公开号：US20170183318A1

  公开（公告）日：2017-06-29

  The present invention relates to medicine and includes a method for preventing and treating diseases caused by RNA- and DNA-containing viruses, and concomitant diseases, wherein the method comprises the use of an effective amount of compounds of general formula I or pharmaceutically acceptable salts thereof. The invention also relates to methods for preparing said compounds, pharmaceutical compositions for the prevention or treatment of diseases caused by RNA- and DNA-containing viruses, said compositions comprising an effective amount of a compound of formula I or a pharmaceutically acceptable salt thereof. The invention addresses the object of providing a novel agent effective in the treatment of diseases caused by an RNA-containing virus belonging to the Enterovirus, Metapneumovirus, Pneumovirus, Respirovirus, or Alfa-coronavirus genus, and/or by a DNA-containing virus belonging to the Adenoviridae and/or Herpesviridae family, and in the prevention and treatment of asthma exacerbation, chronic obstructive pulmonary disease, mucoviscidosis, conjunctivitis, gastroenteritis, hepatitis, myocarditis; in the prevention and treatment of rhinorrhea, acute and infectious rhinitis, pharyngitis, nasopharyngitis, tonsillitis, laryngitis, laryngotracheitis, laryngotracheobronchitis, bronchitis, bronchiolitis, pneumonia, or airway obstructive syndrome.

  本发明涉及医学，包括一种用于预防和治疗由RNA-和DNA-含病毒引起的疾病以及相关疾病的方法，其中该方法包括使用通式I的化合物或其药用可接受盐的有效量。该发明还涉及制备上述化合物的方法，用于预防或治疗由RNA-和DNA-含病毒引起的疾病的药物组合物，该组合物包括通式I的化合物或其药用可接受盐的有效量。该发明解决了提供一种新型药剂的目标，用于治疗属于肠病毒、副呼吸道病毒、呼吸道病毒、呼吸道病毒或阿尔法冠状病毒属的RNA-含病毒引起的疾病，和/或属于腺病毒科和/或疱疹病毒科的DNA-含病毒引起的疾病，并在预防和治疗哮喘急性发作、慢性阻塞性肺疾病、黏液囊病、结膜炎、胃肠炎、肝炎、心肌炎；在预防和治疗流涕、急性和感染性鼻炎、咽炎、鼻咽炎、扁桃体炎、喉炎、喉气管炎、喉气管支气管炎、支气管炎、支气管炎、肺炎或气道梗阻综合征方面具有有效性。
• Syn and anti-oriented imidazole carboxylates as models for the histidine-aspartate couple in serine proteases and other enzymes
  作者：Steven C. Zimmerman、Jean S. Korthals、Katherine D. Gramer

  DOI：10.1016/s0040-4020(01)81797-x

  日期：1991.1

  Several compounds containing an imidazole and a carboxylic acid group have been synthesized and studied as models for the His-Asp couple found in serine proteases and other enzymes. The ability of the carboxylic acid group to increase the basicity of the imidazole and its role in nucleophilic and general base catalysis by the imidazole is described.

  已经合成了几种含有咪唑和羧酸基的化合物，并作为在丝氨酸蛋白酶和其他酶中发现的His-Asp对的模型进行了研究。描述了羧酸基团增加咪唑碱性的能力及其在咪唑亲核和一般碱催化中的作用。
• Cytochrome c oxidase models. A µ-imidazolato complex of copper(<scp>II</scp>) and iron(<scp>III</scp>) derived from an appended-tail porphyrin
  作者：Robert J. Saxton、Lon J. Wilson

  DOI：10.1039/c39840000359

  日期：——

  An Appended-tail FeIII porphyrin complex derived from mono-NH2TPPH2(TPPH2= tetraphenylporphyrin) and urocanic acid chloride has been prepared and used as a precursor for synthesizing a µ-imidazolato binuclear species of FeIII and CuII as a cytochrome c oxidase model compound.

  一个所附尾的Fe III卟啉络合物选自单-NH衍生2 TPPH 2（TPPH 2 =四苯基卟啉）和尿刊酸氯已被制备并用作前体用于合成μ-imidazolato双核的Fe物种III和Cu II作为细胞色素c氧化酶模型化合物。
• Supuran, Claudiu T.; Popescu, Angela; Banciu, Mircea D., Revue Roumaine de Chimie, 1992, vol. 37, # 2, p. 289 - 298
  作者：Supuran, Claudiu T.、Popescu, Angela、Banciu, Mircea D.

  DOI：——

  日期：——