2-硝基-1H-苯并咪唑 | 5709-67-1

• 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: 2-硝基-1H-苯并咪唑
• 中文别名: 1H-苯并咪唑,2-硝基-(9CI)
• 英文名称: 2-Nitrobenzimidazole
• 英文别名: 2-nitro-1H-benzoimidazole；2-nitro-benzimidazole；2-Nitro-benzimidazol；2-Nitrobenzimidazol；2-nitro-1H-benzimidazole
• CAS: 5709-67-1
• 化学式: C₇H₅N₃O₂
• mdl: MFCD01658589
• 分子量: 163.136
• InChiKey: KRTDQDCPEZRVGC-UHFFFAOYSA-N

物化性质

• 熔点：
  261-262℃ (dec.)
• 沸点：
  290.19°C (rough estimate)
• 密度：
  1.4141 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  74.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  室温

反应信息

• 作为反应物：
  描述：

  2-硝基-1H-苯并咪唑 以 甲苯 为溶剂， 反应 2.3h， 以53%的产率得到1-N-甲基-2-硝基苯并咪唑
  参考文献：
  名称：

  N-Methylation of Heterocycles with Dimethylformamide Dimethyl Acetal

  摘要：

  DOI：

  10.1055/s-1984-30953

文献信息

• BENZIMIDAZOLE DERIVATIVES AS PI3 KINASE INHIBITORS
  申请人：Qu Junya

  公开号：US20120088767A1

  公开（公告）日：2012-04-12

  This invention relates to the use of benzimidazole derivatives for the modulation, notably the inhibition of the activity or function of the phosphoinositide 3′ OH kinase family (hereinafter PI3 kinases), suitably, PI3Kα, PI3Kβ, PI3Kβ, and/or PI3Kγ. Suitably, the present invention relates to the use of benzimidazoles in the treatment of one or more disease states selected from: autoimmune disorders, inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, allergy, asthma, pancreatitis, multiorgan failure, kidney diseases, platelet aggregation, cancer, sperm motility, transplantation rejection, graft rejection and lung injuries. More suitably, the present invention relates to PI3Kβ selective benzimidazoles compounds for treating cancer.

  这项发明涉及苯并咪唑衍生物在调节磷脂酰肌醇3′ OH激酶家族（以下简称PI3激酶）的活性或功能，特别是抑制其活性或功能方面的用途。适当地，本发明涉及苯并咪唑在治疗以下一种或多种疾病状态中的用途：自身免疫性疾病、炎症性疾病、心血管疾病、神经退行性疾病、过敏、哮喘、胰腺炎、多器官功能衰竭、肾脏疾病、血小板聚集、癌症、精子活动力、移植排斥、移植物排斥和肺部损伤。更适当地，本发明涉及选择性作用于PI3Kβ的苯并咪唑化合物用于治疗癌症。
• Benzimidazole compounds for regulating IgE
  申请人：——

  公开号：US20030100582A1

  公开（公告）日：2003-05-29

  This invention relates to a family of phenylbenzimidazole analogs, which are inhibitors of the IgE response to allergens. These compounds are useful in the treatment of allergy and/or asthma or any diseases where IgE is pathogenic.

  这项发明涉及一类苯基苯并咪唑类似物，它们是抑制对过敏原的IgE反应的抑制剂。这些化合物在治疗过敏和/或哮喘或任何IgE致病的疾病中是有用的。
• Novel anthranilamide pyridinureas as VEGF receptor kinase inhibitors
  申请人：Schering Aktiengesellschaft

  公开号：EP1657241A1

  公开（公告）日：2006-05-17

  The invention relates to novel anthranilamide pyridinureas as VEGF receptor kinase inhibitors, their production and use as pharmaceutical agents for treating diseases that are triggered by persistent angiogenesis.

  这项发明涉及新型蒽酰胺吡啶脲作为VEGF受体激酶抑制剂，它们的生产和用作治疗由持续血管生成引发的疾病的药物代理。
• [EN] SMALL TUNABLE FLUOROPHORES FOR THE DETECTION AND IMAGING OF BIOMOLECULES<br/>[FR] PETITS FLUOROPHORES ACCORDABLES POUR LA DÉTECTION ET L'IMAGERIE DE BIOMOLÉCULES
  申请人：UNIV COURT UNIV OF EDINBURGH

  公开号：WO2020187919A1

  公开（公告）日：2020-09-24

  The invention relates to small, conjugatable, orthogonal and tunable fluorophores for imaging of small bioactive molecules. The invention further relates to processes for the preparation of the compounds, and uses of the compounds in therapeutic, diagnostic, surgery and analytical applications. The invention provides a compound of formula (I), a derivative or a salt thereof. Wherein X is selected from the group consisting of NH, O, S, SeR5R6, CR7R8; R1 is selected from the group consisting of amines, alcohols, thiols, thiophenols, selenols, selenophenols and aryl groups; R2 and R3 are independently H or a halogen; R4 is either H, nitro or cyano; R5 is either absent or methyl or oxygen; R6 is either absent or methyl or oxygen; and R7 and R8 are independently selected from the group consisting of linear or cyclic alkyl groups containing halogen, amino, cyano or carboxylic ester substituents, and alkyl aryl groups.

  该发明涉及用于显影小生物活性分子的小型、可结合、正交和可调节的荧光物质。该发明还涉及制备这些化合物的工艺以及这些化合物在治疗、诊断、手术和分析应用中的用途。该发明提供了化合物的结构式(I)，其衍生物或盐。其中X选自NH、O、S、SeR5R6、CR7R8组成的群；R1选自胺、醇、硫醇、硫酚、硒醇、硒酚和芳基群；R2和R3独立地为H或卤素；R4为H、硝基或氰基；R5为缺失、甲基或氧；R6为缺失、甲基或氧；R7和R8独立地选自含有卤素、氨基、氰基或羧酸酯取代基的直链或环烷基，以及烷基芳基群。
• 1-Aryl-2-N-, S- or O-substituted benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives
  申请人：——

  公开号：US20030125550A1

  公开（公告）日：2003-07-03

  The invention relates to novel benzimidazole derivatives with general formula I, whereby radicals R 1 , R 2 , R 3 , A, B, Y and Z have the meanings that are indicated in the description and the claims, the use of these compounds for the production of a pharmaceutical agent for treatment and prevention of diseases associated with microglia activation as well as pharmaceutical preparations that contain these compounds. 1

  该发明涉及具有一般式I的新型苯并咪唑衍生物，其中基团R1、R2、R3、A、B、Y和Z的含义如描述和索赔中所示，这些化合物用于生产用于治疗和预防与微胶质细胞激活相关疾病的药物剂，以及含有这些化合物的药物制剂。