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Zorifertinib

CAT: 0804-HY-18750-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-18750-01Size:10 mg
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Description
Zorifertinib (AZD3759) is a potent, orally active, central nervous system-penetrant, EGFR inhibitor. At Km ATP concentrations, the IC50s are 0.3, 0.2, and 0.2 nM for EGFRwt, EGFRL858R, and EGFRexon 19Del, respectively. Zorifertinib induces cancer cell apoptosis. Zorifertinib has antitumor activity, and can be used for NSCLC, HCC etc. research[1].
CAS Number
1626387-80-1
Product Name Alternative
AZD3759
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Apoptosis; EGFR
Type
Reference compound
Related Pathways
Apoptosis; JAK/STAT Signaling; Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/AZD3759.html
Purity
99.37
Solubility
DMSO : ≥ 50 mg/mL
Smiles
ClC1=CC=CC(NC2=NC=NC3=CC(OC)=C(OC(N4[C@H](C)CN(C)CC4)=O)C=C23)=C1F
Molecular Formula
C22H23ClFN5O3
Molecular Weight
459.90
Precautions
H302, H315, H319, H335
References & Citations
[1]Zeng Q, et al. Discovery and Evaluation of Clinical Candidate AZD3759, a Potent, Oral Active, Central Nervous System-Penetrant, Epidermal Growth Factor Receptor Tyrosine Kinase Inhibitor. J Med Chem. 2015 Oct 22;58 (20) :8200-15.|[2]Chao D, et al. AZD3759 induces apoptosis in hepatoma cells by activating a p53-SMAD4 positive feedback loop. Biochem Biophys Res Commun. 2019 Feb 5;509 (2) :535-540.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 3
Isoform
EGFR/ErbB1/HER1

Chemical Information

Zorifertinib

AZD-3759 is under investigation in clinical trial NCT03360929 (Evaluate Safety, Tolerability, Pharmacokinetics and Anti-tumor Activity of AZD3759).

CAS Number1626387-80-1
PubChem CID78209992
IUPAC Name[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl] (2R)-2,4-dimethylpiperazine-1-carboxylate
Molecular FormulaC22H23ClFN5O3
Molecular Weight459.9
XLogP4.1
Topological Polar Surface Area79.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity649
SMILES
C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C
InChI
InChI=1S/C22H23ClFN5O3/c1-13-11-28(2)7-8-29(13)22(30)32-19-9-14-17(10-18(19)31-3)25-12-26-21(14)27-16-6-4-5-15(23)20(16)24/h4-6,9-10,12-13H,7-8,11H2,1-3H3,(H,25,26,27)/t13-/m1/s1
InChIKey
MXDSJQHFFDGFDK-CYBMUJFWSA-N
Chemical Structure
2D Structure
2D structure of Zorifertinib
CAS: 1626387-80-1
CID: 78209992
Formula: C22H23ClFN5O3
MW: 459.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight459.9
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass459.1473455
Monoisotopic Mass459.1473455
Topological Polar Surface Area79.8 Ų
Heavy Atom Count32
Formal Charge0
Complexity649
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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