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Pelitinib (EKB-569)

CAT: 1568-C07766-25mgSize: 25 mgDry Ice: YesHazardous: No
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CAT#:1568-C07766-25mgSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
257933-82-7
Target
EGFR
Applications
Protein Tyrosine Kinase
Smiles
CCOC1=C (C=C2C (=C1) N=CC (=C2NC3=CC (=C (C=C3) F) Cl) C#N) NC (=O) C=CCN (C) C
Molecular Formula
C24H23ClFN5O2
Additionnal Information
Pelitinib (EKB-569) is a potent irreversible EGFR inhibitor with IC50 of 38.5 nM. Pelitinib (EKB-569) also slightly inhibits Src, MEK/ERK and ErbB2 with IC50s of 282 nM, 800 nM and 1255 nM, respectively. Phase2.
Storage Conditions
2 years -80 in solvent

Chemical Information

Pelitinib

Pelitinib is a nitrile, a monocarboxylic acid amide, an aminoquinoline and a member of monochlorobenzenes. It has a role as a protein kinase inhibitor.

CAS Number257933-82-7
PubChem CID6445562
IUPAC Name(E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
Molecular FormulaC24H23ClFN5O2
Molecular Weight467.9
XLogP4.5
Topological Polar Surface Area90.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity729
SMILES
CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C
InChI
InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+
InChIKey
WVUNYSQLFKLYNI-AATRIKPKSA-N
Chemical Structure
2D Structure
2D structure of Pelitinib
CAS: 257933-82-7
CID: 6445562
Formula: C24H23ClFN5O2
MW: 467.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight467.9
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass467.1524308
Monoisotopic Mass467.1524308
Topological Polar Surface Area90.3 Ų
Heavy Atom Count33
Formal Charge0
Complexity729
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

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A1835-100Pelitinib (EKB-569)
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A10706-10mM-DPelitinib (EKB-569) 10mM * 1mL in DMSO
MBS130672-01EKB 569
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