C7249

CI-1033

≥98% (HPLC)

• Synonym(s): Canertinib dihydrochloride, N-[4-(3-Chloro-4-fluorophenylamino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]acrylamide dihydrochloride, N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-[3-(4-morpholinyl)propoxy]-6-quinazolinyl]-2-propenamide dihydrochloride, PD183805
• Empirical Formula (Hill Notation): C₂₄H₂₅ClFN₅O₃· 2HCl
• CAS Number: 289499-45-2
• Molecular Weight: 558.86
• MDL number: MFCD09954112
• UNSPSC Code: 51111800
• PubChem Substance ID: 329775143
• NACRES: NA.77

Properties

• Assay: ≥98% (HPLC)
• form: solid
• solubility: DMSO: >10 mg/mL; H₂O: >10 mg/mL
• storage temp.: −20°C
• SMILES string: Cl.Cl.Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
• InChI: 1S/C24H25ClFN5O3.2ClH/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16;;/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29);2*1H
• InChI key: JZZFDCXSFTVOJY-UHFFFAOYSA-N
• Gene Information: human ... EGFR(1956) , ERBB2(2064) , ERBB4(2066)

Description

Biochem/physiol Actions

CI-1033 is a potent, irreversible ATP binding site–directed pan-ErbB tyrosine kinase inhibitor with IC₅₀ in the low nanomolar range for EGFR, HER2, and ErbB-4.

Features and Benefits

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This compound is featured on the EGFR page of the Handbook of Receptor Classification and Signal Transduction. To browse other handbook pages, click here.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319,H335
• Precautionary Statements: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable