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Canertinib

CAT: 0804-HY-10367-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-10367-05Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Canertinib (CI-1033; PD-183805) is a potent and irreversible EGFR inhibitor; inhibits cellular EGFR and ErbB2 autophosphorylation with IC50s of 7.4 and 9 nM. Canertinib is active against vaccinia virus respiratory infection in mice[1][2][3][4].
CAS Number
267243-28-7
Product Name Alternative
CI-1033; PD-183805
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
EGFR; Orthopoxvirus
Type
Reference compound
Related Pathways
Anti-infection; JAK/STAT Signaling; Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer; Infection
Assay Protocol
https://www.medchemexpress.com/Canertinib.html
Purity
99.74
Solubility
DMSO : 4.9 mg/mL (warming) |Ethanol : 12.5 mg/mL (ultrasonic)
Smiles
O=C(NC1=C(C=C2C(C(NC3=CC=C(C(Cl)=C3)F)=NC=N2)=C1)OCCCN4CCOCC4)C=C
Molecular Formula
C24H25ClFN5O3
Molecular Weight
485.94
Precautions
H302, H315, H319, H335
References & Citations
[1]Smaill JB, et al. Tyrosine kinase inhibitors. 17. Irreversible inhibitors of the epidermal growth factor receptor: 4- (phenylamino) quinazoline- and 4- (phenylamino) pyrido[3,2-d]pyrimidine-6-acrylamides bearing additional solubilizing functions. J Med Chem. 2000 Apr 6;43 (7) :1380-97.|[2]Djerf Severinsson EA, et al. The pan-ErbB receptor tyrosine kinase inhibitor canertinib promotes apoptosis of malignant melanoma in vitro and displays anti-tumor activity in vivo. Biochem Biophys Res Commun. 2011 Oct 28;414 (3) :563-8.|[3]McAndrews KM, et, al. Mechanisms associated with biogenesis of exosomes in cancer. Mol Cancer. 2019 Mar 30;18 (1) :52.|[4]Smee DF, et, al. Progress in the discovery of compounds inhibiting orthopoxviruses in animal models. Antivir Chem Chemother. 2008;19 (3) :115-24.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2
Isoform
EGFR/ErbB1/HER1; ErbB2/HER2
Citation 01
Biochemistry. 2017 Jun 13;56 (23) :2921-2927.|Biochemistry. 2018 Feb 27;57 (8) :1369-1379.|bioRxiv. 2024 Jan 4:2023.10.06.561161.|Hepatol Int. 2025 Nov 3.|J Biol Chem. 2012 Mar 23;287 (13) :9742-52.|J Med Chem. 2019 May 9;62 (9) :4772-4778.|J Med Chem. 2025 Aug 28;68 (16) :17917-17932.|Oncotarget. 2020 Nov 3;11 (44) :3921-3932.|Sci Transl Med. 2018 Jul 18;10 (450) :eaaq1093.|Harvard Medical School LINCS LIBRARY|J Cell Sci. 2015 Sep 1;128 (17) :3317-29.

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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