1-(4-bromophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone | 37052-85-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4-bromophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone
• CAS: 37052-85-0
• 化学式: C₁₆H₁₃BrN₂O₂S
• 分子量: 377.261
• InChiKey: PSLJEHAEHDGDLA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  80.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(4-bromophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone 在 sodium tetrahydroborate 作用下， 以 甲醇 、 氯仿 为溶剂， 生成 1-(4-bromophenyl)-2-[(5-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanol
  参考文献：
  名称：

  New styryl sulfones as anticancer agents

  摘要：

  New styryl sulfone compounds have been synthesized and evaluated for their anti-proliferative activity. Among the compounds synthesized, one compound (7k) has shown 51% tumor growth inhibition in mice implanted with HT-29 human carcinoma at 400 mg kg(-1) orally. (C) 2003 Editions scientifiques et medicales Elsevier SAS. All rights reserved.

  DOI：

  10.1016/s0223-5234(03)00144-2
• 作为产物：
  描述：

  4-甲氧基邻苯二胺 在 氢氧化钾 、 potassium carbonate 作用下， 以 乙醇 、 丙酮 为溶剂， 反应 3.0h， 生成 1-(4-bromophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone
  参考文献：
  名称：

  New styryl sulfones as anticancer agents

  摘要：

  New styryl sulfone compounds have been synthesized and evaluated for their anti-proliferative activity. Among the compounds synthesized, one compound (7k) has shown 51% tumor growth inhibition in mice implanted with HT-29 human carcinoma at 400 mg kg(-1) orally. (C) 2003 Editions scientifiques et medicales Elsevier SAS. All rights reserved.

  DOI：

  10.1016/s0223-5234(03)00144-2

文献信息

• Synthesis, biological evaluation and molecular docking study of benzimidazole derivatives as α-glucosidase inhibitors and anti-diabetes candidates
  作者：Shawkat Hayat、Hayat Ullah、Fazal Rahim、Ikram Ullah、Muhammad Taha、Naveed Iqbal、Fahad Khan、Muhammad Saleem Khan、Syed Adnan Ali Shah、Abdul Wadood、Muhammad Sajid、Ashraf N. Abdalla

  DOI：10.1016/j.molstruc.2022.134774

  日期：2023.3

  α-glucosidase inhibitors used for controlling diabetes mellitus. Unfortunately, these distinguished and clinically used inhibitors have also numerous side effects. Subsequently, there is still a need to develop safer therapy. Despite a broad spectrum of the biological importance of benzimidazole, it is occasionally evaluated for α-glucosidase activity. The current study deals with the synthesis and biological

  伏格列波糖和阿卡波糖是用于控制糖尿病的杰出 α-葡萄糖苷酶抑制剂。不幸的是，这些杰出的和临床使用的抑制剂也有许多副作用。随后，仍然需要开发更安全的疗法。尽管苯并咪唑具有广泛的生物学重要性，但偶尔会评估其 α-葡萄糖苷酶活性。目前的研究涉及苯并咪唑衍生物 (1-17) 的合成和生物筛选，以了解其 α-葡萄糖苷酶抑制活性。与标准药物阿卡波糖 (IC50 =38.60 ± 0.20 μ M)相比，所有衍生物均显示出极佳至良好的抑制潜力，IC50 值为 3.40 ± 0.10 至 36.90 ± 0.90 μ M。该系列中，衍生品17是IC最强的50值 3.40 ±0.10 μ M 和所有其他衍生物 11、10、12、4、8、3、15、9、14、2、5、13、6、16 和 1 显示 IC 50值 5.10 ± 0.20、6.2 ± 0.20 , 9.30 ± 0.30, 16.50 ± 0.40,
• Synthesis, In Vitro α-Amylase Activity, and Molecular Docking Study of New Benzimidazole Derivatives
  作者：Hayat Ullah、Hafeez Ullah、M. Taha、F. Khan、F. Rahim、I. Uddin、M. Sarfraz、S. A. Ali Shah、A. Aziz、S. Mubeen

  DOI：10.1134/s1070428021060130

  日期：2021.6
• Mohan,J.; Pujari,H.K., Indian Journal of Chemistry, 1972, vol. 10, p. 274 - 276
  作者：Mohan,J.、Pujari,H.K.

  DOI：——

  日期：——
• New styryl sulfones as anticancer agents
  作者：Manohar Sharma Vedula、Aravind Babu Pulipaka、Chandrasekhar Venna、Vamsee Krishna Chintakunta、Sreenu Jennepalli、Venkata Adiseshu Kattuboina、Ravi Krishna Vallakati、Vishnu Basetti、Venkateswarlu Akella、Sriram Rajgopal、Ajaya Kumar Reka、Sravan Kumar Teepireddy、Prem Kumar Mamnoor、Ramanujam Rajagopalan、Gopalakrishnan Bulusu、Akash Khandelwal、Vijay V Upreti、Srinivas Rao Mamidi

  DOI：10.1016/s0223-5234(03)00144-2

  日期：2003.9

  New styryl sulfone compounds have been synthesized and evaluated for their anti-proliferative activity. Among the compounds synthesized, one compound (7k) has shown 51% tumor growth inhibition in mice implanted with HT-29 human carcinoma at 400 mg kg(-1) orally. (C) 2003 Editions scientifiques et medicales Elsevier SAS. All rights reserved.