1-(2-丙烯基)-2-苯并咪唑酮 | 72798-66-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 中文名称: 1-(2-丙烯基)-2-苯并咪唑酮
• 英文名称: 1,3-Dihydro-1-(2-propenyl)-2H-benzimidazol-2-on
• 英文别名: 1-allyl-1,3-dihydro-2H-benzoimidazol-2-one；1-allyl-1,3-dihydrobenzoimidazol-2-one；1-allyl-1H-benzo[d]imidazol-2(3H)-one；1-allyl-1,3-dihydro-benzoimidazol-2-one；1,3-dihydro-1-(2-propenyl)-2H-benzimidazol-2-one；1-Allyl-2(3H)-benzimidazolinon；3-prop-2-enyl-1H-benzimidazol-2-one
• CAS: 72798-66-4
• 化学式: C₁₀H₁₀N₂O
• mdl: MFCD01631146
• 分子量: 174.202
• InChiKey: IBUITUADTJVMAY-UHFFFAOYSA-N

物化性质

• 熔点：
  110-120°
• 密度：
  1.151±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  1-(2-丙烯基)-2-苯并咪唑酮 在 二(氰基苯)二氯化钯 作用下， 以 甲苯 为溶剂， 反应 48.0h， 以70%的产率得到1-[(1E)-1-丙烯-1-基]-1,3-二氢-2H-苯并咪唑-2-酮
  参考文献：
  名称：

  Quast, Helmut; Nahr, Uwe, Chemische Berichte, 1985, vol. 118, # 2, p. 526 - 540

  摘要：

  DOI：
• 作为产物：
  描述：

  1-烯丙基-1-(2-溴苯基)脲 在 copper(l) iodide 、 四甲基乙二胺 作用下， 以 水 为溶剂， 反应 15.0h， 以71%的产率得到1-(2-丙烯基)-2-苯并咪唑酮
  参考文献：
  名称：

  Copper-catalyzed intramolecular N-arylation of ureas in water: a novel entry to benzoimidazolones

  摘要：

  The copper-catalyzed intramolecular N-arylation of 2-bromoarylureas performed in water leading to the benzo[d]imidazolone framework is reported. The scope of the methodology presented herein proved to be broad and afforded a significant number of benzoimidazolones in good to excellent yields. The reported protocol is based on the use of Cut and TMEDA acting both as the ligand and as the base in a water solution, which allows for the easy separation of the catalyst containing aqueous phase from the products by simple extraction. Additionally, the N- versus O-arylation competitive processes are also discussed. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.05.072

文献信息

• CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF
  申请人：Millennium Pharmaceuticals, Inc.

  公开号：US20160031908A1

  公开（公告）日：2016-02-04

  Disclosed are novel compounds and a method of treating a disease associated with aberrant leukocyte recruitment and/or activation. The method comprises administering to a subject in need an effective amount of a compound represented by: or physiologically acceptable salt thereof.

  揭示了新颖的化合物以及治疗与异常白细胞召集和/或激活相关的疾病的方法。该方法包括向需要的受试者施用代表的化合物的有效量： 或其生理上可接受的盐。
• [EN] BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY<br/>[FR] COMPOSÉS HÉTÉROARYLE BICYCLIQUES UTILES EN TANT QU'INHIBITEURS DE LA VOIE DE SIGNALISATION PAR-2
  申请人：VERTEX PHARMA

  公开号：WO2016154075A1

  公开（公告）日：2016-09-29

  The compounds of formula I, wherein the variables are as defined herein, and pharmaceutically acceptable salts thereof are useful as inhibitors of the PAR-2 signaling pathway. The compounds of formula I and pharmaceutically acceptable compositions comprising such compounds can be employed for treating various diseases, disorders, and conditions.

  式I的化合物，其中变量如本文所定义，并且其药学上可接受的盐可用作PAR-2信号通路的抑制剂。式I的化合物和包含这些化合物的药学上可接受的组合物可用于治疗各种疾病、疾病和症状。
• Chemokine receptor anagonists and methods of use therefor
  申请人：Millennium Pharmaceuticals, Inc.

  公开号：US20020169155A1

  公开（公告）日：2002-11-14

  Disclosed are novel compounds and a method of treating a disease associated with aberrant leukocyte recruitment and/or activation. The method comprises administering to a subject in need an effective amount of a compound represented by: 1 or physiologically acceptable salt thereof.

  揭示了新颖的化合物以及一种治疗与异常白细胞召集和/或激活相关疾病的方法。该方法包括向需要的受试者施用化合物1或其生理上可接受的盐的有效量。
• [EN] DNA-PK INHIBITORS<br/>[FR] INHIBITEURS DE LA PROTÉINE KINASE DÉPENDANTE DE L'ADN
  申请人：VERTEX PHARMA

  公开号：WO2019143678A1

  公开（公告）日：2019-07-25

  The present invention relates to compounds useful as inhibitors of DNA-PK. The invention also provides pharmaceutically acceptable compositions comprising said compounds and methods of using the compositions in the treatment of various diseases, conditions, or disorders.

  本发明涉及作为DNA-PK抑制剂有用的化合物。该发明还提供了包括所述化合物的药学上可接受的组合物，以及在治疗各种疾病、状况或障碍中使用这些组合物的方法。
• [EN] COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE<br/>[FR] COMPOSÉS UTILES EN TANT QU'INHIBITEURS DE KINASE ATR
  申请人：VERTEX PHARMA

  公开号：WO2013049720A1

  公开（公告）日：2013-04-04

  The present invention relates to compounds useful as inhibitors of ATR protein kinase. The invention also relates to pharmaceutically acceptable compositions comprising the compounds of this invention; methods of treating of various diseases, disorders, and conditions using the compounds of this invention; processes for preparing the compounds of this invention; intermediates for the preparation of the compounds of this invention; and methods of using the compounds in in vitro applications, such as the study of kinases in biological and pathological phenomena; the study of intracellular signal transduction pathways mediated by such kinases; and the comparative evaluation of new kinase inhibitors. The compounds of this invention have formula (I) or a pharmaceutically acceptable salt thereof.

  本发明涉及用作ATR蛋白激酶抑制剂的化合物。本发明还涉及包含本发明化合物的药用可接受组合物；使用本发明化合物治疗各种疾病、障碍和状况的方法；制备本发明化合物的方法；本发明化合物的中间体；以及使用化合物进行体外应用的方法，例如研究生物和病理现象中的激酶；研究由这些激酶介导的细胞内信号转导途径；以及新激酶抑制剂的比较评估。本发明的化合物具有公式（I）或其药用可接受的盐。