2-[(6-chloro-1H-benzimidazol-2-yl)methylsulfanyl]-1-(4-chloro-3-methylphenyl)ethanone | 1026341-58-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-[(6-chloro-1H-benzimidazol-2-yl)methylsulfanyl]-1-(4-chloro-3-methylphenyl)ethanone
• CAS: 1026341-58-1
• 化学式: C₁₇H₁₄Cl₂N₂OS
• 分子量: 365.283
• InChiKey: RRLUZYODQUZNMO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  71
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-[(6-chloro-1H-benzimidazol-2-yl)methylsulfanyl]-1-(4-chloro-3-methylphenyl)ethanone 在 Oxone 、 sodium tetrahydroborate 作用下， 以 甲醇 、 二氯甲烷 、 氯仿 、 水 、 叔丁醇 为溶剂， 反应 7.5h， 生成 2-[(6-chloro-1H-benzimidazol-2-yl)methylsulfonyl]-1-(4-chloro-3-methylphenyl)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-氯-1,2-苯二胺 在 盐酸 、 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 7.0h， 生成 2-[(6-chloro-1H-benzimidazol-2-yl)methylsulfanyl]-1-(4-chloro-3-methylphenyl)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

• 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.