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Erlotinib Hydrochloride

CAT: 0607-A8234-1000Size: 1 gDry Ice: NoHazardous: No
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CAT#:0607-A8234-1000Size:1 g
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Description
Selective EGFR inhibitor
CAS Number
183319-69-9
Product Name Alternative
N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;hydrochloride
Sequence
Tarceva; CP-358774; OSI-774; NSC 718781
Field of Research
JAK STAT Signaling EGFR Tyrosine Kinase EGFR
Purity
0.9955
Form
A solid
Solubility
insoluble in H2O; insoluble in EtOH; ≥6.44 mg/mL in DMSO with gentle warming
Smiles
COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC.Cl
Molecular Formula
C22H24ClN3O4
Molecular Weight
429.91
Shipping Conditions
Blue ice
Storage Conditions
Store at -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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