Products for Research Use Only
RegisterLogin

Canertinib dihydrochloride

CAT: 0957-S0711-5mgSize: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0957-S0711-5mgSize:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
289499-45-2
Synonyms
CI-1033 dihydrochloride, PD-183805 dihydrochloride
Target
EGFR
Applications
Protein Tyrosine Kinase
Smiles
C=CC (=O) NC1=C (C=C2C (=C1) C (=NC=N2) NC3=CC (=C (C=C3) F) Cl) OCCCN4CCOCC4.Cl.Cl
Molecular Formula
C24H27Cl3FN5O3
Additionnal Information
Canertinib (CI-1033, PD-183805, compound 18) dihydrochloride is a potent and irreversible inhibitor of epidermal growth factor receptor (EGFR) tyrosine kinase. Canertinib dihydrochloride inhibits cellular EGFR and ErbB2 autophosphorylation with IC50 of 7.4 nM and 9 nM, respectively.
Storage Conditions
3 years -20°C powder

Chemical Information

Canertinib Dihydrochloride

Canertinib Dihydrochloride is the hydrochloride salt of an orally bio-available quinazoline with potential antineoplastic and radiosensitizing activities. Canertinib binds to the intracellular domains of epidermal growth factor receptor tyrosine kinases (ErbB family), irreversibly inhibiting their signal transduction functions and resulting in tumor cell apoptosis and suppression of tumor cell proliferation. This agent also acts as a radiosensitizing agent and displays synergistic activity with other chemotherapeutic agents.

CAS Number289499-45-2
PubChem CID156413
IUPAC NameN-[4-(3-chloro-4-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enamide;dihydrochloride
Molecular FormulaC24H27Cl3FN5O3
Molecular Weight558.9
Topological Polar Surface Area88.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count36
Formal Charge0
Complexity671
SMILES
C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4.Cl.Cl
InChI
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
InChIKey
JZZFDCXSFTVOJY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Canertinib Dihydrochloride
CAS: 289499-45-2
CID: 156413
Formula: C24H27Cl3FN5O3
MW: 558.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight558.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass557.116351
Monoisotopic Mass557.116351
Topological Polar Surface Area88.6 Ų
Heavy Atom Count36
Formal Charge0
Complexity671
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

Related Products

CatalogName
S1019-25mgCanertinib (CI-1033)
S1019-10mgCanertinib (CI-1033)
S1019-1gCanertinib (CI-1033)
S1019-01Canertinib (CI-1033)
S1019-50mgCanertinib (CI-1033)
S1019-200mgCanertinib (CI-1033)
S1019-100mgCanertinib (CI-1033)
S0531-5mgDG172 dihydrochloride
S5062-01Daclatasvir Dihydrochloride
S4730-01Pyrithioxin Dihydrochloride

Alternative Products

CatalogName
A3276-50Canertinib dihydrochloride
410-05Canertinib, dihydrochloride
HY-10367A-01Canertinib (dihydrochloride)
A11344-500Canertinib dihydrochloride 500mg
A11344-50Canertinib dihydrochloride 50mg
HY-10367AR-01Canertinib (dihydrochloride) (Standard)
A11344-100Canertinib dihydrochloride 100mg
A11344-25Canertinib dihydrochloride 25mg
A11344-10Canertinib dihydrochloride 10mg
5916/5Canertinib dihydrochloride 10 mg

Popular Products