6-(2-苯并噻唑基)-1-乙基-2-[2-(甲基苯基氨基)乙烯基]-3-苯基-1H-苯并咪唑鎓碘化物 | 681281-88-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 中文名称: 6-(2-苯并噻唑基)-1-乙基-2-[2-(甲基苯基氨基)乙烯基]-3-苯基-1H-苯并咪唑鎓碘化物
• 中文别名: Akt抑制剂IV；6-(2-苯并噻唑基)-1-乙基-2-[2-(甲基苯基氨基)乙烯基]-3-苯基-1H-苯并咪唑碘化物
• 英文名称: Akt inhibitor IV
• 英文别名: N-[(E)-2-[5-(1,3-benzothiazol-2-yl)-3-ethyl-1-phenylbenzimidazol-3-ium-2-yl]ethenyl]-N-methylaniline;iodide
• CAS: 681281-88-9
• 化学式: C₃₁H₂₇N₄S*I
• 分子量: 614.553
• InChiKey: NAYRELMNTQSBIN-UHFFFAOYSA-M

物化性质

• 溶解度：
  二甲基亚砜：≥10 mg/mL

计算性质

• 辛醇/水分配系数(LogP)：
  4.33
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  53.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-氯-3-硝基苯甲醛 在 manganese(IV) oxide 、 palladium 10% on activated carbon 、 氯化锆(IV) 、 potassium carbonate 、 肼 作用下， 以 乙醇 、 二甲基亚砜 为溶剂， 反应 49.08h， 生成 6-(2-苯并噻唑基)-1-乙基-2-[2-(甲基苯基氨基)乙烯基]-3-苯基-1H-苯并咪唑鎓碘化物
  参考文献：
  名称：

  Synthesis and Biological Evaluation of Analogues of AKT (Protein Kinase B) Inhibitor-IV

  摘要：

  Inhibitors of the PI3-kinase/AKT (protein kinase B) pathway are under investigation as anticancer and antiviral agents. The benzimidazole derivative AKT inhibitor-IV (ChemBridge 5233705) affects this pathway and exhibits potent anticancer and antiviral activity. To probe its biological activity, we synthesized AKT inhibitor-IV and 21 analogues using a novel six-step route based on ZrCl4-catalyzed cyclization of 1,2-arylenediamines with alpha,beta-unsaturated aldehydes. We examined effects on viability of HeLa carcinoma cells, viability of normal human cells (NHBE), replication of recombinant parainfluenza virus 5 (PIV5) in HeLa cells, and replication of the intracellular bacterium Mycobacterium fortuitum in HeLa cells. Replacement of the benzimidazole N-ethyl substitutent of AKT inhibitor-IV with N-hexyl and N-dodecyl groups enhanced antiviral activity and cytotoxicity against the cancer cell line, but these compounds showed substantially lower toxicity (from 6-fold to >20-fold) against NHBE cells and no effect on M. fortuitum, suggesting inhibition of one or more host protein(s) required for proliferation of cancer cells and PIV5. The key structural elements identified here may facilitate identification of targets of this highly biologically active scaffold.

  DOI：

  10.1021/jm100912b

文献信息

• High-content and high throughput assays for identification of lipid-regulating pathways, and novel therapeutic agents for lipid disorders
  申请人：Oksenberg Donna

  公开号：US20100081632A1

  公开（公告）日：2010-04-01

  A method of assaying protein-protein interactions associated with proteins involved in lipid pathways using a protein fragment complementation assays, said method comprising the steps of: (a) identifying protein molecules that interact with said protein associated with lipid pathways; (b) selecting a protein reporter molecule; (c) effecting fragmentation of said protein reporter molecule such that said fragmentation results in reversible loss of reporter function; (d) fusing or attaching fragments of said protein reporter molecule separately to said interacting protein molecules as defined in step (a); (e) transfecting cells with nucleic acid constructs coding for the products of step (d); (f) reassociating said reporter fragments through interactions of the protein molecules that are fused or attached to said fragments; and (g) measuring directly or Indirectly the activity of said reporter molecule resulting from the reassociation of said reporter fragments.
• COMPOSITIONS, METHODS AND USES FOR MODULATION OF BRCA 1
  申请人：Holt Jeffrey Thomas

  公开号：US20120040896A1

  公开（公告）日：2012-02-16

  Embodiments of the present invention generally relate to methods, compositions and uses for diagnosis and treatment of cancer. Certain embodiments report methods and compositions for diagnosing and/or treating a subject having a BRCA1-related cancer or sporadic cancer. Some embodiments disclose treatments that can include, but are not limited to, modulation of BRCA1. In some embodiments, methods for identifying a subject with unstable BRCA1 protein are reported.
• US20140271944A1
  申请人：——

  公开号：US20140271944A1

  公开（公告）日：2014-09-18
• Compositions for Alleviating Inflammation and Oxidative Stress in a Mammal
  申请人：Lifeline Nutraceuticals

  公开号：US20150283193A9

  公开（公告）日：2015-10-08

  An antioxidant-promoting composition that increases antioxidant defense potential in a subject is disclosed. The composition contains Bacopa monniera extract comprising a Bacopa monniera active ingredient; a Silybum marianum (milk thistle) extract comprising a Silybum marianum active ingredient; a Withania somnifera (ashwagandha) extract comprising a Withania somnifera active ingredient; a Camellia sinensis (green tea) extract comprising a Camellia sinensis active ingredient; a Curcuma longa (turmeric) extract comprising at least one Curcuma longa active ingredient, and optionally a Centella asiatica (Gotu kola) extract; a Ginko biloba extract; an Aloe vera extract; and N-acetyl cysteine. The process for quantifying Nrf2 transcription factor activating potential of the botanical extracts comprising the botanical active ingredients is described.
• US9265808B2
  申请人：——

  公开号：US9265808B2

  公开（公告）日：2016-02-23