Erlotinib hydrochlorideProduct ingredient for Erlotinib
- Name
- Erlotinib hydrochloride
- Drug Entry
- Erlotinib
Erlotinib is an inhibitor of the epidermal growth factor receptor (EGFR) tyrosine kinase that is used in the treatment of non-small cell lung cancer, pancreatic cancer and several other types of cancer. It is typically marketed under the trade name Tarceva. Erlotinib binds to the epidermal growth factor receptor (EGFR) tyrosine kinase in a reversible fashion at the adenosine triphosphate (ATP) binding site of the receptor. Recent studies demonstrate that erlotinib is also a potent inhibitor of JAK2V617F, which is a mutant form of tyrosine kinase JAK2 found in most patients with polycythemia vera (PV) and a substantial proportion of patients with idiopathic myelofibrosis or essential thrombocythemia. This finding introduces the potential use of erlotinib in the treatment of JAK2V617F-positive PV and other myeloproliferative disorders.
- Accession Number
- DBSALT000064
- Structure
Structure for Erlotinib hydrochloride (DBSALT000064)
- Synonyms
- Erlotinib HCl
- UNII
- DA87705X9K
- CAS Number
- 183319-69-9
- Weight
- Average: 429.897
Monoisotopic: 429.145533978 - Chemical Formula
- C22H24ClN3O4
- InChI Key
- GTTBEUCJPZQMDZ-UHFFFAOYSA-N
- 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
- IUPAC Name
- hydrogen N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine chloride
- SMILES
- [H+].[Cl-].COCCOC1=CC2=C(C=C1OCCOC)C(NC1=CC(=CC=C1)C#C)=NC=N2
- External Links
- Predicted Properties
Property Value Source Water Solubility 0.00891 mg/mL ALOGPS logP 3.13 ALOGPS logP 3.2 Chemaxon logS -4.6 ALOGPS pKa (Strongest Acidic) 16.14 Chemaxon pKa (Strongest Basic) 4.62 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 74.73 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 107.79 m3·mol-1 Chemaxon Polarizability 43.44 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon