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Epitinib

CAT: 0013-GTR19186207-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186207-01Size:25 mg
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Description
Epitinib is a brain-penetrant, selective EGFR tyrosine kinase inhibitor suitable for oral administration. It is used in preclinical research to investigate EGFR-driven cancers, particularly in models of brain metastases and glioblastoma, through both in vitro and in vivo studies.
CAS Number
1203902-67-3
Field of Research
Cardiovascular Research, Signal Transduction
Smiles
N (C=1C2=C (C=C (OC) C (NC (=O) N3CCN (CC) CC3) =C2) N=CN1) C4=CC (C#C) =CC=C4
Molecular Formula
C24H26N6O2
Molecular Weight
430.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Epitinib

Epitinib is an orally available epidermal growth factor receptor (EGFR) inhibitor, with potential antineoplastic activity. Upon administration, epitinib inhibits the activity of EGFR, thereby preventing EGFR-mediated signaling. This may lead to induction of cell death and inhibition of tumor growth in EGFR-overexpressing tumor cells. EGFR is a receptor tyrosine kinase (RTK) that is overexpressed in certain tumor types and plays a key role in tumor cell proliferation and vascularization.

CAS Number1203902-67-3
PubChem CID59142777
IUPAC Name4-ethyl-N-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]piperazine-1-carboxamide
Molecular FormulaC24H26N6O2
Molecular Weight430.5
XLogP3
Topological Polar Surface Area82.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity673
SMILES
CCN1CCN(CC1)C(=O)NC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC=CC(=C4)C#C)OC
InChI
InChI=1S/C24H26N6O2/c1-4-17-7-6-8-18(13-17)27-23-19-14-21(22(32-3)15-20(19)25-16-26-23)28-24(31)30-11-9-29(5-2)10-12-30/h1,6-8,13-16H,5,9-12H2,2-3H3,(H,28,31)(H,25,26,27)
InChIKey
DQAZPZIYEOGZAF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Epitinib
CAS: 1203902-67-3
CID: 59142777
Formula: C24H26N6O2
MW: 430.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.5
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass430.21172409
Monoisotopic Mass430.21172409
Topological Polar Surface Area82.6 Ų
Heavy Atom Count32
Formal Charge0
Complexity673
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

Alternative Products

CatalogName
MBS5805085Epitinib
MBS5784964Epitinib succinate
HY-139300A-01Epitinib (succinate)

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