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EGFR/CDK2-IN-1

CAT: 0804-HY-151573Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-151573Size:1 Each
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Description
EGFR/CDK2-IN-1 (Compound 3b) is an EGFR/CDK2 inhibitor. EGFR/CDK2-IN-1 shows good cytotoxicity against MCF7 and HepG2 cells. EGFR/CDK2-IN-1 can be used in cancer research[1].
CAS Number
2841405-96-5
UNSPSC
12352005
Target
CDK; EGFR
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; JAK/STAT Signaling; Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/egfr-cdk2-in-1.html
Solubility
10 mM in DMSO
Smiles
O=C(C1=CC=C(Br)C=C1)/C=C/C2=CC=C(C3=CC=CC=C3Cl)O2
Molecular Formula
C19H12BrClO2
Molecular Weight
387.65
References & Citations
[1]Altowyan MS, et al. Synthesis, Characterization, and Cytotoxicity of New Spirooxindoles Engrafted Furan Structural Motif as a Potential Anticancer Agent. ACS Omega. 2022 Sep 27;7 (40) :35743-35754.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Egfr/cdk2-IN-1
CAS Number2841405-96-5
PubChem CID6199344
IUPAC Name(E)-1-(4-bromophenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-en-1-one
Molecular FormulaC19H12BrClO2
Molecular Weight387.7
XLogP5.8
Topological Polar Surface Area30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity431
SMILES
C1=CC=C(C(=C1)C2=CC=C(O2)/C=C/C(=O)C3=CC=C(C=C3)Br)Cl
InChI
InChI=1S/C19H12BrClO2/c20-14-7-5-13(6-8-14)18(22)11-9-15-10-12-19(23-15)16-3-1-2-4-17(16)21/h1-12H/b11-9+
InChIKey
YIOGDNXXYFSGJY-PKNBQFBNSA-N
Chemical Structure
2D Structure
2D structure of Egfr/cdk2-IN-1
CAS: 2841405-96-5
CID: 6199344
Formula: C19H12BrClO2
MW: 387.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.7
XLogP35.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass385.97092
Monoisotopic Mass385.97092
Topological Polar Surface Area30.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity431
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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