imidazoline hydrochloride | 34301-57-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 英文名称: imidazoline hydrochloride
• 英文别名: 4,5-dihydro-1H-imidazol-1-ium;chloride
• CAS: 34301-57-0
• 化学式: C₃H₆N₂*ClH
• 分子量: 106.555
• InChiKey: UFQDKRWQSFLPQY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.04
• 重原子数：
  6
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  24.4
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  benzimidazo[1,2-a]quinoline-2-carbonitrile 、 imidazoline hydrochloride 生成 2-(4,5-dihydro-1H-imidazol-2-yl)-7H-benzimidazolo[1,2-a]quinolin-12-ium;chloride
  参考文献：
  名称：

  Antitumor activity of amidino-substituted benzimidazole and benzimidazo[1,2-a]quinoline derivatives tested in 2D and 3D cell culture systems

  摘要：

  Due to a poor clinical predictive power of 2D cell cultures, standard tool for in vitro assays in drug discovery process, there is increasing interest in developing 3D in vitro cell cultures, biologically relevant assay feasible for the development of robust preclinical anti-cancer drug screening platforms. Herein, we tested amidino-substituted benzimidazoles and benzimidazo[ 1,2-a] quinolines as a small platform for comparison of antitumor activity in 2D and 3D cell culture systems and correlation with structure-activity relationship. 3D cell culture method was applied on a human cancer breast (SK-BR-3, MDA-MB-231, T-47D) and pancreatic cancer cells (MIA PaCa-2, PANC-1). Results obtained in 2D and 3D models were highly comparable, but in some cases we have observed significant disagreement indicating that some prominent compounds can be discarded in early phase of researching because of compounds with false positive result. To confirm which of cell culture systems is more accurate, in vivo profiling is needed.

  DOI：

  10.3109/14756366.2015.1101093

文献信息

• 8-[2-Imidazolylmethyloxy(thio, or amino)]-imidazo[1,2-a]pyrazines and
  申请人：Merck & Co., Inc.

  公开号：US04483858A1

  公开（公告）日：1984-11-20

  8-[2-Imidazolylmethyloxy(thio, or amino)]-imidazo[1,2-a]pyrazines and derivatives and acid addition salts thereof are central adrenergic receptor agonists and thereby useful as antihypertensives.

  [2-Imidazolylmethyloxy(thio, or amino)]-imidazo[1,2-a]pyrazines及其衍生物以及它们的酸加成盐是中枢肾上腺素能受体激动剂，因此可用作降压药。
• LIVER X RECEPTOR (LXR) MODULATORS FOR THE TREATMENT OF DERMAL DISEASES, DISORDERS AND CONDITIONS
  申请人：Alexar Therapeutics, Inc.

  公开号：US20150152094A1

  公开（公告）日：2015-06-04

  Described herein are liver X receptor (LXR) modulators and methods of utilizing LXR modulators in the treatment of dermal diseases, disorders or conditions. Also described herein are pharmaceutical compositions containing such compounds.

  本文描述了肝X受体（LXR）调节剂以及利用LXR调节剂治疗皮肤疾病、紊乱或状况的方法。还描述了包含这些化合物的制药组合物。
• Liver X receptor (LXR) modulators for the treatment of dermal diseases, disorders and conditions
  申请人：Alexar Therapeutics, Inc.

  公开号：US08987318B2

  公开（公告）日：2015-03-24

  Described herein are liver X receptor (LXR) modulators and methods of utilizing LXR modulators in the treatment of dermal diseases, disorders or conditions. Also described herein are pharmaceutical compositions containing such compounds.

  本文描述了肝X受体（LXR）调节剂，以及利用LXR调节剂治疗皮肤疾病、紊乱或状况的方法。还描述了含有这些化合物的制药组合物。
• Liver X Receptor (LXR) Modulators For The Treatment Of Dermal Diseases, Disorders And Conditions
  申请人：Alexar Therapeutics, Inc.

  公开号：US20150045399A1

  公开（公告）日：2015-02-12

  Described herein are liver X receptor (LXR) modulators and methods of utilizing LXR modulators in the treatment of dermal diseases, disorders or conditions. Also described herein are pharmaceutical compositions containing such compounds.

  本文描述了肝X受体（LXR）调节剂及其在治疗皮肤疾病、疾病或症状中的使用方法。还描述了含有这些化合物的制药组合物。