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Erlotinib hydrochloride

CAT: 0931-T0373L-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T0373L-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
183319-69-9
Target
Autophagy, EGFR
Related Pathways
Tyrosine Kinase/Adaptors, Autophagy, Angiogenesis, JAK/STAT signaling
Purity
0.9985
Bioactivity
Erlotinib hydrochloride (NSC 718781) is an EGFR inhibitor (IC50: 2 nM) . It is used for the treatment of non-small cell lung cancer.
Smiles
Cl.COCCOC1=C(OCCOC)C=C2C(NC3=CC(=CC=C3)C#C)=NC=NC2=C1
Molecular Formula
C22H23N3O4·HCl
Molecular Weight
429.9
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Erlotinib Hydrochloride

Erlotinib Hydrochloride is the hydrochloride salt of a quinazoline derivative with antineoplastic properties. Competing with adenosine triphosphate, erlotinib reversibly binds to the intracellular catalytic domain of epidermal growth factor receptor (EGFR) tyrosine kinase, thereby reversibly inhibiting EGFR phosphorylation and blocking the signal transduction events and tumorigenic effects associated with EGFR activation.

CAS Number183319-69-9
PubChem CID176871
IUPAC NameN-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;hydrochloride
Molecular FormulaC22H24ClN3O4
Molecular Weight429.9
Topological Polar Surface Area74.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count30
Formal Charge0
Complexity525
SMILES
COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC.Cl
InChI
InChI=1S/C22H23N3O4.ClH/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22;/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25);1H
InChIKey
GTTBEUCJPZQMDZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Erlotinib Hydrochloride
CAS: 183319-69-9
CID: 176871
Formula: C22H24ClN3O4
MW: 429.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass429.1455339
Monoisotopic Mass429.1455339
Topological Polar Surface Area74.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity525
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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