Encequidar
Catalog Number: BT-253745
CAS Number: 849675-66-7
Molecular Formula: C₃₈H₃₆N₆O₇
Molecular Weight: 688.7 g/mol
The product is for non-human research only. Not for therapeutic or veterinary use.
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Product Introduction
Description
Encequidar is a potent and selective inhibitor of P-glycoprotein (P-gp), a membrane-bound transporter protein that plays a crucial role in the efflux of drugs and xenobiotics from cells. It is a promising drug candidate for the treatment of various diseases, including cancer, infectious diseases, and neurological disorders.
Properties
CAS Number
849675-66-7
Product Name
Encequidar
IUPAC Name
N-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]tetrazol-5-yl]-4,5-dimethoxyphenyl]-4-oxochromene-2-carboxamide
Molecular Formula
C₃₈H₃₆N₆O₇
Molecular Weight
688.7 g/mol
InChI
InChI=1S/C38H36N6O7/c1-47-32-17-24-14-16-43(22-25(24)18-33(32)48-2)15-13-23-9-11-26(12-10-23)44-41-37(40-42-44)28-19-34(49-3)35(50-4)20-29(28)39-38(46)36-21-30(45)27-7-5-6-8-31(27)51-36/h5-12,17-21H,13-16,22H2,1-4H3,(H,39,46)
InChI Key
AHJUHHDDCJQACA-UHFFFAOYSA-N
SMILES
COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)N4N=C(N=N4)C5=CC(=C(C=C5NC(=O)C6=CC(=O)C7=CC=CC=C7O6)OC)OC)OC
Synonyms
HM-30181 free base; HM30181; HM-30181; HM 30181.;N-(2-(2-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phenyl)-2H-tetrazol-5-yl)-4,5-dimethoxyphenyl)-4-oxo-4H-chromene-2-carboxamide
Canonical SMILES
COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)N4N=C(N=N4)C5=CC(=C(C=C5NC(=O)C6=CC(=O)C7=CC=CC=C7O6)OC)OC)OC
Method of Synthesis or Extraction
Encequidar is synthesized by a multi-step process that involves the reaction of several chemical intermediates. The most commonly used method for the synthesis of encequidar is the reaction of 2,6-dimethylphenol with 2-chloroethyl isocyanate, followed by the reaction with 2,6-dimethylphenyl isocyanate. The yield of this method is around 50%, and the process is relatively safe and environmentally friendly.
Chemical Structure and Biological Activity
Encequidar is a small molecule with a molecular weight of 563.7 g/mol. It has a complex chemical structure that consists of two aromatic rings connected by a central linker. Encequidar is a potent and selective inhibitor of Encequidar, which is overexpressed in many cancer cells and contributes to multidrug resistance. It binds to the ATP-binding site of Encequidar and prevents the efflux of drugs from cancer cells, thereby increasing the intracellular concentration of chemotherapeutic agents.
Biological Effects
Encequidar has been shown to have a significant impact on cell function and signal transduction. It has been demonstrated to enhance the efficacy of chemotherapy in preclinical models of cancer and to improve the pharmacokinetics of several drugs, including paclitaxel, docetaxel, and vinblastine. Encequidar has also been shown to have potential therapeutic effects in the treatment of infectious diseases, such as tuberculosis and malaria, by increasing the intracellular concentration of antibiotics. However, encequidar may also have potential toxic effects, as it can inhibit the efflux of endogenous substrates, such as bile acids, and lead to cholestasis.
Applications
Encequidar has several applications in medical research, including its role in drug development, clinical trials, and findings. It has been evaluated in several clinical trials for the treatment of cancer, and the results have been promising. Encequidar has also been studied in the treatment of infectious diseases, such as tuberculosis and malaria. In environmental research, encequidar has been shown to have effects on ecosystems and can be used in pollution management. In industrial research, encequidar can be used in manufacturing processes to improve product quality and efficiency, with health and safety considerations.
Future Perspectives and Challenges
The current limitations in the use and study of encequidar include its potential toxic effects and the need for further clinical trials to evaluate its safety and efficacy. Possible solutions and improvements include the development of more selective inhibitors of Encequidar and the use of encequidar in combination with other drugs to enhance their efficacy. Future trends and prospects in the application of encequidar in scientific research include its potential use in the treatment of neurological disorders, such as Alzheimer's disease, and the development of more potent and selective inhibitors of Encequidar.
Conclusion:
Encequidar is a promising drug candidate for the treatment of various diseases, including cancer, infectious diseases, and neurological disorders. Its potent and selective inhibition of Encequidar makes it a valuable tool in drug development and clinical trials. However, its potential toxic effects and the need for further clinical trials to evaluate its safety and efficacy are current limitations. The future prospects and challenges in the application of encequidar in scientific research are promising, and further research is needed to fully understand its potential therapeutic benefits.
Conclusion:
Encequidar is a promising drug candidate for the treatment of various diseases, including cancer, infectious diseases, and neurological disorders. Its potent and selective inhibition of Encequidar makes it a valuable tool in drug development and clinical trials. However, its potential toxic effects and the need for further clinical trials to evaluate its safety and efficacy are current limitations. The future prospects and challenges in the application of encequidar in scientific research are promising, and further research is needed to fully understand its potential therapeutic benefits.
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