2-thiophen-2-yl-1H-benzoimidazol-5-ylamine | 51759-47-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 2-thiophen-2-yl-1H-benzoimidazol-5-ylamine
• 英文别名: 2-thiophen-2-yl-3H-benzimidazol-5-amine
• CAS: 51759-47-8
• 化学式: C₁₁H₉N₃S
• mdl: MFCD00447630
• 分子量: 215.279
• InChiKey: ODERBZFANUDJQA-UHFFFAOYSA-N

物化性质

• 沸点：
  495.3±43.0 °C(Predicted)
• 密度：
  1.414±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  82.9
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  2-thiophen-2-yl-1H-benzoimidazol-5-ylamine 、 2-(furan-2-ylmethyl-amino)-4-chloro-6-ethoxy-[1,3,5]triazine 在 N,N-二异丙基乙胺 作用下， 以 1,4-二氧六环 为溶剂， 反应 8.0h， 以9%的产率得到6-ethoxy-N-furan-2-ylmethyl-N'-(2-thiophen-2-yl-1H-benzoimidazol-5-yl)-[1,3,5]triazine-2,4-diamine
  参考文献：
  名称：

  [EN] TRIAZINES AND RELATED COMPOUNDS HAVING ANTIVIRAL ACTIVITY, COMPOSITIONS AND METHODS THEREOF
  [FR] TRIAZINES ET COMPOSÉS ASSOCIÉS PRÉSENTANT UNE ACTIVITÉ ANTIVIRALE, COMPOSITIONS ET PROCÉDÉS ASSOCIÉS

  摘要：

  公开号：

  WO2009091388A4

文献信息

• Triazines And Related Compounds Having Antiviral Activity, Compositions And Methods Thereof
  申请人：Han Amy Qi

  公开号：US20120009151A1

  公开（公告）日：2012-01-12

  Disclosed herein are novel triazines and related compounds, the synthesis thereof, and compositions, including pharmaceutical compositions, comprising the novel triazines and related compounds. Such novel triazines and related compounds function to inhibit or block entry of viruses of the Flaviviridae family, including Hepatitis C virus (HCV), into cells that are susceptible to virus infection. These compounds are useful for the treatment, therapy and/or prophylaxis of viral diseases and infection, including HCV infection.

  本文披露了新型三嗪及其相关化合物，其合成方法以及包含新型三嗪和相关化合物的组合物，包括药物组合物。这些新型三嗪和相关化合物的功能是抑制或阻止易感染病毒的细胞进入黄病毒科病毒，包括丙型肝炎病毒（HCV）。这些化合物对于治疗、治疗和/或预防病毒性疾病和感染，包括HCV感染，是有用的。
• BRCA1-BASED BREAST OR OVARIAN CANCER PREVENTION AGENTS AND METHODS OF USE
  申请人：Jensen Roy A.

  公开号：US20090170842A1

  公开（公告）日：2009-07-02

  A pharmaceutical composition for use in treating, inhibiting, and/or preventing breast and/or ovarian cancer can include: a molecule having a structure of one of Compounds 1-38, pharmaceutically acceptable salt thereof, or analog thereof, and a pharmaceutically acceptable carrier containing the compound. The pharmaceutically acceptable carrier can be configured for oral, systemic, transdermal, intranasal, suppository, parenteral, intramuscular, intravenous, or subcutaneous administration. The compound can be present in the composition in a therapeutically effective amount for treating, inhibiting, and/or preventing breast and/or ovarian cancer. Also, the compound can be present in a therapeutically effective amount for enhancing production of BRCA1.

  一种用于治疗、抑制和/或预防乳腺和/或卵巢癌的药物组合物可以包括：具有化合物1-38中一种的结构，其药学上可接受的盐或类似物，以及含有该化合物的药学上可接受的载体。药学上可接受的载体可以配置为口服、全身性、经皮、鼻内、栓剂、静脉注射、肌肉注射或皮下注射的给药途径。该化合物可以以治疗、抑制和/或预防乳腺和/或卵巢癌的治疗有效量存在于组合物中。此外，该化合物可以以增强BRCA1产生的治疗有效量存在于组合物中。
• BRCA1-Based Breast or Ovarian Cancer Prevention Agents and Methods of Use
  申请人：Jensen Roy A.

  公开号：US20120259005A1

  公开（公告）日：2012-10-11

  A pharmaceutical composition for use in treating, inhibiting, and/or preventing breast and/or ovarian cancer can include: a molecule having a structure of one of Compounds 1-38, pharmaceutically acceptable salt thereof, or analog thereof; and a pharmaceutically acceptable carrier containing the compound. The pharmaceutically acceptable carrier can be configured for oral, systemic, transdermal, intranasal, suppository, parenteral, intramuscular, intravenous, or subcutaneous administration. The compound can be present in the composition in a therapeutically effective amount for treating, inhibiting, and/or preventing breast and/or ovarian cancer. Also, the compound can be present in a therapeutically effective amount for enhancing production of BRCA1.
• US8362072B2
  申请人：——

  公开号：US8362072B2

  公开（公告）日：2013-01-29
• [EN] BRCA1-BASED BREAST OR OVARIAN CANCER PREVENTION AGENTS AND METHODS OF USE<br/>[FR] AGENTS DE PRÉVENTION DU CANCER DES OVAIRES OU DU SEIN À BASE DE BRCA1 ET PROCÉDÉS D'UTILISATION
  申请人：UNIV KANSAS

  公开号：WO2009065028A2

  公开（公告）日：2009-05-22

  A pharmaceutical composition for use in treating, inhibiting, and/or preventing breast and/or ovarian cancer can include: a molecule having a structure of one of Compounds 1- 38, pharmaceutically acceptable salt thereof, or analog thereof; and a pharmaceutically acceptable carrier containing the compound. The pharmaceutically acceptable carrier can be configured for oral, systemic, transdermal, intranasal, suppository, parenteral, intramuscular, intravenous, or subcutaneous administration. The compound can be present in the composition in a therapeutically effective amount for treating, inhibiting, and/or preventing breast and/or ovarian cancer. Also, the compound can be present in a therapeutically effective amount for enhancing production of BRCA1.