CAS
9012-76-4 Purity
95%
9012-76-4 Purity
95%
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1-Amino-5-chloroanthraquinone
CAS
117-11-3
Catalog Number
ACM117113
Category
Main Products
Molecular Weight
257.67
Molecular Formula
C14H8ClNO2
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Specification
Appearance
Powder
Preparation of Poly(1-Amino-5-Chloroanthraquinone) Nanofibrils and Their Use for Mercury Removal
Huang, Shaojun, et al. Journal of Nanomaterials, 2016, 7245829.
Poly(1-amino-5-chloroanthraquinone) (PACA) nanofibrils with high surface area were successfully prepared from 1-amino-5-chloroanthraquinone (ACA) monomer via chemical oxidation interfacial polymerization. The PACA nanofibrils can be used as new nanoadsorbents for removing highly toxic mercury from aqueous solutions.
Synthesis of PACA Nanofibrils from ACA
· In a 100 mL conical flask, 1.29 g (5.0 mmol) of ACA, 750 μL (8.8 mmol) of 70% HClO4, and 30 mL of C6H5NO2 were combined in a water bath at 20 °C. The mixture was vigorously stirred for 20 minutes.
· Then, a NaClO (10 mmol) oxidant solution (5.78 mL) was added dropwise to the ACA mixture over 20 minutes. The resulting mixture was stirred using a magnetic stirrer at 300 rpm for 72 hours at 20 °C.
· Afterwards, the mixture was separated into an aqueous layer and an organic layer using a 50 mL separatory funnel. The organic layer was distilled under reduced pressure at 95 °C to obtain a solid product and crude C6H5NO2. The C6H5NO2 was recycled after drying with anhydrous calcium chloride and redistillation.
· The solid product was washed with excess distilled water (2000 mL) and alcohol (300 mL) to remove water-soluble by-products, remaining monomers and some oligomers. Finally, the product was dried at 80 °C in air for 48 hours, resulting in PACA nanofibrils powders.
Molecular Docking of 1-Amino-5-Chloroanthraquinone and Its Therapeutic Potential for Thyroid Cancer
Valarmathi, T., et al. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2021, 255, 119659.
Quantum chemistry, vibrational spectroscopy, and molecular docking studies were performed on the 1-amino-5-chloroanthraquinone (ACAQ) molecule. According to the results of molecular docking, the ACAQ molecule inhibits the effect of c-Met kinase protein related to thyroid cancer, and it has the potential to treat thyroid cancer.
Molecular docking analysis of ACAQ
· In this study, the molecule ACAQ was utilized as a ligand in docking experiments with four cancer-associated proteins: c-Met Kinase (PDB ID: 4XMO) for thyroid cancer, EGFR (PDB ID: 1 M17) for ovarian cancer, HDAC6 (PDB ID: 5EF7) for oral squamous cell carcinoma, and p53 (PDB ID: 1YCS) for lung cancer. The results, including the lowest binding energy, inhibition constant, and intermolecular energy values of the protein-ligand complexes, are presented in the table, with the corresponding docked poses shown in the figure.
· The calculated data indicate that ACAQ has the lowest binding energy and inhibition constant values for c-Met Kinase, which is associated with thyroid cancer. A lower binding energy signifies a stronger interaction between the ligand and the protein target, enhancing the binding affinity. The ACAQ-c-Met kinase complex had a binding energy value of 6.18 kcal/mol and an inhibition constant of 29.33 mM, and these results support further exploration of ACAQ as a potential candidate for the development of effective drugs for the treatment of thyroid cancer.
What is the molecular formula of 1-Amino-5-chloroanthraquinone?
The molecular formula is C14H8ClNO2.
What are some synonyms of 1-Amino-5-chloroanthraquinone?
Some synonyms include 117-11-3, 1-amino-5-chloroanthracene-9,10-dione, and 1-Chloro-5-aminoanthraquinone.
What is the molecular weight of 1-Amino-5-chloroanthraquinone?
The molecular weight is 257.67 g/mol.
When was 1-Amino-5-chloroanthraquinone created?
It was created on March 26, 2005.
When was 1-Amino-5-chloroanthraquinone last modified?
It was last modified on October 21, 2023.
What is the IUPAC name of 1-Amino-5-chloroanthraquinone?
The IUPAC name is 1-amino-5-chloroanthracene-9,10-dione.
What is the InChI of 1-Amino-5-chloroanthraquinone?
The InChI is InChI=1S/C14H8ClNO2/c15-9-5-1-3-7-11(9)13(17)8-4-2-6-10(16)12(8)14(7)18/h1-6H,16H2.
What is the InChIKey of 1-Amino-5-chloroanthraquinone?
The InChIKey is QIHMGEKACAOTPE-UHFFFAOYSA-N.
What is the CAS number of 1-Amino-5-chloroanthraquinone?
The CAS number is 117-11-3.
What is the physical description of 1-Amino-5-chloroanthraquinone?
It is described as a powder.
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