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Canertinib (CI-1033)

CAT: 1568-C16062-01Size: 25 mgDry Ice: YesHazardous: No
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CAT#:1568-C16062-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
267243-28-7
Synonyms
PD183805
SKU
C16062-25mg
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
Molecular Formula
C24H25ClFN5O3
Additionnal Information
Canertinib (CI-1033, PD183805) is a pan-ErbB inhibitor for EGFR and ErbB2 with IC50 of 1.5 nM and 9.0 nM, no activity to PDGFR, FGFR, InsR, PKC, or CDK1/2/4. Phase 3.
Storage Conditions
2 years -80 in solvent

Chemical Information

Canertinib

Canertinib is a quinazoline compound having a 3-chloro-4-fluoroanilino group at the 4-position, a propenamido group at the 6-position, and a 3-morpholinopropoxy group at the 7-position. It has a role as an antineoplastic agent and a tyrosine kinase inhibitor. It is an organofluorine compound, a member of quinazolines, a member of morpholines and a member of monochlorobenzenes.

CAS Number267243-28-7
PubChem CID156414
IUPAC NameN-[4-(3-chloro-4-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enamide
Molecular FormulaC24H25ClFN5O3
Molecular Weight485.9
XLogP3.9
Topological Polar Surface Area88.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count34
Formal Charge0
Complexity671
SMILES
C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4
InChI
InChI=1S/C24H25ClFN5O3/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)
InChIKey
OMZCMEYTWSXEPZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Canertinib
CAS: 267243-28-7
CID: 156414
Formula: C24H25ClFN5O3
MW: 485.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight485.9
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass485.1629955
Monoisotopic Mass485.1629955
Topological Polar Surface Area88.6 Ų
Heavy Atom Count34
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 Count1
Compound Is CanonicalizedYes

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MBS384507-01Canertinib (CI-1033)
MBS130584-01Canertinib, CI 1033
MBS8506167-01CI-1033 (Canertinib)
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A10211-100Canertinib (CI-1033) 100mg
A10211-25Canertinib (CI-1033) 25mg
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C1075-25Canertinib, Dihydrochloride (N-[4-[ (3-Chloro-4-fluorophenyl) amino]-7-[3- (4-morpholinyl) propoxy]-6-quinazolinyl]-2-propenamide Dihydrochloride, CI-1033, PD183805)
MBS655332-01Canertinib, Dihydrochloride (N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-[3-(4-morpholinyl)propoxy]-6-quinazolinyl]-2-propenamide Dihydrochloride, CI-1033, PD183805)

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