3-{2-(4-chlorophenyl)-1H-imidazo[1,2-a]benzimidazol-1-yl}propan-1-ol | 301168-45-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-{2-(4-chlorophenyl)-1H-imidazo[1,2-a]benzimidazol-1-yl}propan-1-ol
• 英文别名: Cambridge id 5785640；3-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]propan-1-ol
• CAS: 301168-45-6
• 化学式: C₁₈H₁₆ClN₃O
• mdl: MFCD00964841
• 分子量: 325.798
• InChiKey: ACTAIZGIOQXANL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  42.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-{2-(4-chlorophenyl)-1H-imidazo[1,2-a]benzimidazol-1-yl}propan-1-ol 在 氯化亚砜 作用下， 生成 {3-[2-(4-Bromo-phenyl)-benzo[d]imidazo[1,2-a]imidazol-1-yl]-propyl}-diethyl-amine
  参考文献：
  名称：

  摘要：

  DOI：

  10.1023/a:1021254309351
• 作为产物：
  描述：

  1H-苯并咪唑-2-磺酸 在 potassium hydroxide 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 3-{2-(4-chlorophenyl)-1H-imidazo[1,2-a]benzimidazol-1-yl}propan-1-ol
  参考文献：
  名称：

  1-Acylmethylbenzimidazole-2-sulfonic acids and their cyclization by N-nucleophiles

  摘要：

  New preparation method was developed for derivatives of 1,4-dihydro-1,2,4-triazino[4,3-a]-, 2-aryl-1(9)H-, and 1-R-imidazo[1,2-a]benzimidazole underlain by newly synthesized 1-acylmethylbenzimidazole-2-sulfonic acids. The latter react with 2-aminoethanol affording along with the previously described compounds of the 1-(2-hydroxyethyl)imidazobenzimidazole series also compounds of formerly unknown polycyclic system, 2,3,11,12-tetrahydro-1,3-oxazolo[2,3-a]imidazo[1,2-a]benzimidazole.

  DOI：

  10.1134/s1070428014050169

文献信息

• NOVEL REGULATORS OF ALDEHYDE DEHYDROGENASE ALDH3A1 AND RELATED THERAPEUTIC METHODS
  申请人：Indiana University Research and Technology Corporation

  公开号：US20150202169A1

  公开（公告）日：2015-07-23

  Described herein are compositions and methods for the treatment of cancer, and in particular cancers characterized by a high level of ALD3H1 activity, which is associated with chemoresistance to cancer chemotherapeutic agents that are degraded by ALD3H1. The compositions described herein act as competitive inhibitors of ALD3H1 and thereby reduce breakdown of chemotherapeutics by this enzyme, and increase their efficacy for cancer treatment.
• US9320722B2
  申请人：——

  公开号：US9320722B2

  公开（公告）日：2016-04-26
• 1-Acylmethylbenzimidazole-2-sulfonic acids and their cyclization by N-nucleophiles
  作者：T. A. Kuz’menko、L. N. Divaeva、A. S. Morkovnik、V. A. Anisimova、G. S. Borodkin、V. V. Kuz’menko

  DOI：10.1134/s1070428014050169

  日期：2014.5

  New preparation method was developed for derivatives of 1,4-dihydro-1,2,4-triazino[4,3-a]-, 2-aryl-1(9)H-, and 1-R-imidazo[1,2-a]benzimidazole underlain by newly synthesized 1-acylmethylbenzimidazole-2-sulfonic acids. The latter react with 2-aminoethanol affording along with the previously described compounds of the 1-(2-hydroxyethyl)imidazobenzimidazole series also compounds of formerly unknown polycyclic system, 2,3,11,12-tetrahydro-1,3-oxazolo[2,3-a]imidazo[1,2-a]benzimidazole.
• ——
  作者：V. A. Anisimova、M. M. Osipova、A. P. Galenko‐Yaroshevskii、V. V. Ponomarev、V. L. Popkov、A. K. Prikhod'ko、E. A. Kade、A. A. Spasov

  DOI：10.1023/a:1021254309351

  日期：——