Gefitinib-d6 - CAS 1228664-49-0
Gefitinib-d6 is intended for use as an internal standard for the quantification of gefitinib (Item No. 13166) by GC- or LC-MS. Gefitinib is a selective EGFR-TK inhibitor that blocks the growth of GEO colon cancer, ZR-75-1 and MCF-10A Ha-ras breast cancer, and OVCAR-3 ovarian cancer cell lines with IC50s ranging between 0.2-0.4 µM. By interfering with the intracellular kinase domain, gefitinib prevents EGFR autophosphorylation and prevents downstream signal transduction. Formulations containing gefitinib have been used to treat advanced (or recurrent) non-small cell lung cancer. However, the FDA retracted its general approval for this compound (Iressa™) when a phase III trial failed to demonstrate an overall survival benefit. Gefitinib appears to be most efficacious in treating certain EGFR gene mutations that are prevalent in Asian populations.
Catalog Number: R067120
CAS Number: 1228664-49-0
Molecular Formula: C22H18ClD6FN4O3
Molecular Weight:452.9
Purity: ≥95%
* For research use only. Not for human or veterinary use.
Synonym
Synonyms | N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(4-morpholinyl)propoxy-1,1,2,2,3,3-d6]-4-quinazolinamine |
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Property
Molecular Formula: | C22H18ClD6FN4O3 |
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Molecular Weight | 452.9 |
Purity | ≥95% |
Storage | 2°C to 8°C |
Computed Descriptor
InChI | InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)/i2D2,5D2,8D2 |
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InChIKey | XGALLCVXEZPNRQ-AQCDAZAYSA-N |
SMILES | COC1=CC2=C(C(NC3=CC=C(F)C(Cl)=C3)=NC=N2)C=C1OC([2H])([2H])C([2H])([2H])C([2H])([2H])N4CCOCC4 |