Erlotinib free base- CAS 183321-74-6 (free base)

Erlotinib is an epidermal growth factor receptor inhibitor (EGFR inhibitor). Erlotinib HCl was approved. Erlotinib binds in a reversible fashion to the adenosine triphosphate (ATP) binding site of the receptor. For the signal to be transmitted, two EGFR molecules need to come together to form a homodimer. These then use the molecule of ATP to trans-phosphorylate each other on tyrosine residues, which generates phosphotyrosine residues, recruiting the phosphotyrosine-binding proteins to EGFR to assemble protein complexes that transduce signal cascades to the nucleus or activate other cellular biochemical processes. When erlotinib binds to EGFR, formation of phosphotyrosine residues in EGFR is not possible and the signal cascades are not initiated.

Catalog Number: I006704

CAS Number: 183321-74-6 (free base)

PubChem Substance ID:355164309

Molecular Formula: C22H23N3O4

Molecular Weight:393.443

Purity: ≥95%

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* For research use only. Not for human or veterinary use.

Synonym

SynonymsCP-358,774; CP-358774; CP358774; OSI-774; OSI 774; OSI774; Erlotinib free base.;N-(3-Ethynylphenyl)-6,7-bis(2-methoxyethoxy)-4-quinazolinamine

Property

Molecular Formula: C22H23N3O4
Molecular Weight393.443
Target:EGFR inhibitor
SolubilitySoluble in DMSO, not in water
Purity≥95%
Storage0 - 4°C for short term or -20 °C for long term

Computed Descriptor

IUPAC NameN-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
InChIInChI=1S/C22H23N3O4/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)
InChIKeyAAKJLRGGTJKAMG-UHFFFAOYSA-N
SMILESCOCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC