Compound 56

REGFR inhibitor CAS# 171745-13-4

Compound 56

Catalog No. BCC3615----Order now to get a substantial discount!

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Compound 56: 5mg $6 In Stock
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Quality Control of Compound 56

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Chemical structure

Compound 56

3D structure

Chemical Properties of Compound 56

Cas No. 171745-13-4 SDF Download SDF
PubChem ID 2857 Appearance Powder
Formula C18H18BrN3O2 M.Wt 388.3
Type of Compound N/A Storage Desiccate at -20°C
Solubility >16.95mg/mL in DMSO
Chemical Name N-(3-bromophenyl)-6,7-diethoxyquinazolin-4-amine
SMILES CCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Br)OCC
Standard InChIKey YXOXHAUUTIOBDA-UHFFFAOYSA-N
Standard InChI InChI=1S/C18H18BrN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)
General tips For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months.
We recommend that you prepare and use the solution on the same day. However, if the test schedule requires, the stock solutions can be prepared in advance, and the stock solution must be sealed and stored below -20℃. In general, the stock solution can be kept for several months.
Before use, we recommend that you leave the vial at room temperature for at least an hour before opening it.
About Packaging 1. The packaging of the product may be reversed during transportation, cause the high purity compounds to adhere to the neck or cap of the vial.Take the vail out of its packaging and shake gently until the compounds fall to the bottom of the vial.
2. For liquid products, please centrifuge at 500xg to gather the liquid to the bottom of the vial.
3. Try to avoid loss or contamination during the experiment.
Shipping Condition Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other couriers with RT, or blue ice upon request.

Biological Activity of Compound 56

DescriptionCompound 56 is a cell-permeable, reversible, and ATP-competitive inhibitor of tyrosine kinase activity of EGFR.
TargetsEGFR    

Compound 56 Dilution Calculator

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Compound 56 Molarity Calculator

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Preparing Stock Solutions of Compound 56

1 mg 5 mg 10 mg 20 mg 25 mg
1 mM 2.5753 mL 12.8766 mL 25.7533 mL 51.5066 mL 64.3832 mL
5 mM 0.5151 mL 2.5753 mL 5.1507 mL 10.3013 mL 12.8766 mL
10 mM 0.2575 mL 1.2877 mL 2.5753 mL 5.1507 mL 6.4383 mL
50 mM 0.0515 mL 0.2575 mL 0.5151 mL 1.0301 mL 1.2877 mL
100 mM 0.0258 mL 0.1288 mL 0.2575 mL 0.5151 mL 0.6438 mL
* Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations.

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Background on Compound 56

Compound 56, 4-[(3-Bromophenyl)amino]-6,7-diethoxyquinazoline, is a potent and specific inhibitor of the tyrosine kinase of the epidermal growth factor receptor (EGFR) showing an IC50 of 0.006 nM. It competitively binds at the adenosine-triphosphate (ATP) site of EGFR. Compound 56 is capable of inhibiting the phosphorylation of EGF-dependent EGFR, suppressing the proliferation and clonogenicity of a wide panel of EGFR-overexpressing human cancer lines, and blocking EGF-mediated mitogenesis and oncogenic transformation in fibroblasts overexpressing EGFR. Besides inhibiting EGFR tyrosine kinase, It also inhibits the tyrosine kinase of human epidermal growth factor receptor 2 (HER2/neu) but with a less potency.

Reference

Bridges AJ, Zhou H, Cody DR, Rewcastle GW, McMichael A, Showalter HD, Fry DW, Kraker AJ, and Denny WA. Tyrosine kinase inhibitors. 8. An unusually steep structure-activity relationship for analogues of 4-(3-bromoanilino)-6,7-dimethoxyquinazoline (PD 153035), a potent inhibitor of the epidermal growth factor receptor.J Med Chem 1966; 39 (1): 267-276

Monique Bos, Jhn Mendelsohn, Young-Mee Kim, Joan Albanell, David W. Fry, and Jose Baelga. PD153035, a tyrosine kinase inhibitor, prevents epidermal growth factor receptor activation and inhibits growth of cancer cells in a receptor number-dependent manner. Clin Cancer Res 1997;3:2099-2106

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References on Compound 56

The analysis of microsatellites and compound microsatellites in 56 complete genomes of Herpesvirales.[Pubmed:25172209]

Gene. 2014 Nov 1;551(1):103-9.

Simple sequence repeats (SSRs), or microsatellites, are special DNA/RNA sequences with repeated unit of 1-6 bp. The genomes of Herpesvirales have many repeating structures, which is an excellent system to study the evolution and roles of microsatellites and compound microsatellites in viruses. Therefore, 56 genomes of Herpesvirales were selected and the occurrence, composition and complexity of different repeats were investigated in the genomes. A total of 63,939 microsatellites and 5825 compound microsatellites were extracted from 56 genomes. It found that GC content has a significant strong correlation with both the counts of microsatellites (CM) and the counts of compound microsatellites (CCM). However, genome size has a moderate correlation only with CM and almost no correlation with CCM. The compound microsatellites occurring in genic regions are obviously more than that in intergenic regions. In general, the number of compound microsatellite decreases with the increase of complexity (C) (the count of individual microsatellites being part of a compound microsatellite) and the complexity hardly exceeds C=4. The vast majority of compound microsatellites exist in intergenic regions, when C>/=10. The distributions of SSRs tend to be organism-specific rather than host-specific in herpesvirus genomes. The diversity of microsatellites and compound microsatellites may be helpful for a better understanding of the viral genetic diversity, genotyping, and evolutionary biology in herpesviruses genomes.

Magnetic Properties of a Single-Molecule Lanthanide-Transition-Metal Compound Containing 52 Gadolinium and 56 Nickel Atoms.[Pubmed:26923173]

Angew Chem Int Ed Engl. 2016 Mar 24;55(14):4532-6.

Monodisperse metal clusters provide a unique platform for investigating magnetic exchange within molecular magnets. Herein, the core-shell structure of the monodisperse molecule magnet of [Gd52 Ni56 (IDA)48 (OH)154 (H2 O)38 ]@SiO2 (1 a@SiO2 ) was prepared by encapsulating one high-nuclearity lanthanide-transition-metal compound of [Gd52 Ni56 (IDA)48 (OH)154 (H2 O)38 ](NO3 )18 164 H2 O (1) (IDA=iminodiacetate) into one silica nanosphere through a facile one-pot microemulsion method. 1 a@SiO2 was characterized using transmission electron microscopy, N2 adsorption-desorption isotherms, and inductively coupled plasma-atomic emission spectrometry. Magnetic investigation of 1 and 1 a revealed J1 =0.25 cm(-1) , J2 =-0.060 cm(-1) , J3 =-0.22 cm(-1) , J4 =-8.63 cm(-1) , g=1.95, and z J=-2.0x10(-3) cm(-1) for 1, and J1 =0.26 cm(-1) , J2 =-0.065 cm(-1) , J3 =-0.23 cm(-1) , J4 =-8.40 cm(-1) g=1.99, and z J=0.000 cm(-1) for 1 a@SiO2 . The z J=0 in 1 a@SiO2 suggests that weak antiferromagnetic coupling between the compounds is shielded by silica nanospheres.

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