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EGFR-IN-88

CAT: 0804-HY-156033Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-156033Size:1 Each
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Description
EGFR-IN-88 (Compound 4i) is an EGFR inhibitor (IC50: 87 nM) . EGFR-IN-88 shows cytotoxicity against A549 cell with an IC50 of 3.902 μM. EGFR-IN-88 can induce cell apoptosis[1].
CAS Number
2944452-34-8
UNSPSC
12352005
Target
Apoptosis; EGFR
Type
Reference compound
Related Pathways
Apoptosis; JAK/STAT Signaling; Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/egfr-in-88.html
Solubility
10 mM in DMSO
Smiles
O=C(C1=CC=C(Cl)C=C1Cl)CSC2=NN=C(C3=CC=C4N=C(CC)C(CC)=NC4=C3)O2
Molecular Formula
C22H18Cl2N4O2S
Molecular Weight
473.37
References & Citations
[1]Ali SH, et al. Design, synthesis, and molecular docking studies of novel quinoxaline derivatives as anticancer agents. Chem Biol Drug Des. 2023 Aug;102 (2) :303-315.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Egfr-IN-88
CAS Number2944452-34-8
PubChem CID168510613
IUPAC Name1-(2,4-dichlorophenyl)-2-[[5-(2,3-diethylquinoxalin-6-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
Molecular FormulaC22H18Cl2N4O2S
Molecular Weight473.4
XLogP5.9
Topological Polar Surface Area107
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity618
SMILES
CCC1=NC2=C(C=C(C=C2)C3=NN=C(O3)SCC(=O)C4=C(C=C(C=C4)Cl)Cl)N=C1CC
InChI
InChI=1S/C22H18Cl2N4O2S/c1-3-16-17(4-2)26-19-9-12(5-8-18(19)25-16)21-27-28-22(30-21)31-11-20(29)14-7-6-13(23)10-15(14)24/h5-10H,3-4,11H2,1-2H3
InChIKey
VIJBROPXMOLSCE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Egfr-IN-88
CAS: 2944452-34-8
CID: 168510613
Formula: C22H18Cl2N4O2S
MW: 473.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight473.4
XLogP35.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass472.0527524
Monoisotopic Mass472.0527524
Topological Polar Surface Area107 Ų
Heavy Atom Count31
Formal Charge0
Complexity618
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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