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Gefitinib impurity 2

CAT: 0804-HY-100663-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-100663-01Size:5 mg
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Description
Gefitinib impurity 2 is the impurity of Gefitinib. Gefitinib (ZD1839; HY-50895) is a potent, selective and orally active EGFR tyrosine kinase inhibitor with an IC50 of 33 nM. Gefitinib selectively inhibits EGF-stimulated tumor cell growth (IC50 of 54 nM) and that blocks EGF-stimulated EGFR autophosphorylation in tumor cells. Gefitinib also induces autophagy. Gefitinib has antitumour activity[1][2].
CAS Number
246512-44-7
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
EGFR
Type
Reference compound
Related Pathways
JAK/STAT Signaling; Protein Tyrosine Kinase/RTK
Field of Research
Others; Cancer
Assay Protocol
https://www.medchemexpress.com/gefitinib-impurity-2.html
Purity
99.56
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(N)C1=CC(OCCCN2CCOCC2)=C(OC)C=C1N
Molecular Formula
C15H23N3O4
Molecular Weight
309.37
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
References & Citations
[1] Wakeling AE, et al. ZD1839: an orally active inhibitor of epidermal growth factor signaling with potential for cancer therapy. Cancer Res. 2002 Oct 15;62 (20) :5749-54.|[2]Pedersen MW, et al. Differential response to gefitinib of cells expressing normal EGFR and the mutant EGFRvIII. Br J Cancer. 2005 Oct 17;93 (8) :915-23.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-Amino-4-methoxy-5-(3-morpholinopropoxy)benzamide
CAS Number246512-44-7
PubChem CID11638144
IUPAC Name2-amino-4-methoxy-5-(3-morpholin-4-ylpropoxy)benzamide
Molecular FormulaC15H23N3O4
Molecular Weight309.36
XLogP0.6
Topological Polar Surface Area100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count22
Formal Charge0
Complexity350
SMILES
COC1=C(C=C(C(=C1)N)C(=O)N)OCCCN2CCOCC2
InChI
InChI=1S/C15H23N3O4/c1-20-13-10-12(16)11(15(17)19)9-14(13)22-6-2-3-18-4-7-21-8-5-18/h9-10H,2-8,16H2,1H3,(H2,17,19)
InChIKey
HFUBNPPCNQAACT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Amino-4-methoxy-5-(3-morpholinopropoxy)benzamide
CAS: 246512-44-7
CID: 11638144
Formula: C15H23N3O4
MW: 309.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight309.36
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass309.16885622
Monoisotopic Mass309.16885622
Topological Polar Surface Area100 Ų
Heavy Atom Count22
Formal Charge0
Complexity350
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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