Pelitinib

CAT: 0931-T2327-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No

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CAT#:0931-T2327-02Size:1 mL - 10 mM (in DMSO)

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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, Raf, MEK, Src

Related Pathways

JAK/STAT signaling, MAPK, Angiogenesis, Tyrosine Kinase/Adaptors

Purity

0.9986

Bioactivity

Pelitinib (EKB-569) (EKB-569) is an effective irreversible EGFR inhibitor (IC50: 38.5 nM) .

Smiles

CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C

Molecular Formula

C24H23ClFN5O2

Molecular Weight

467.92

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

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 Number	257933-82-7
PubChem CID	6445562
IUPAC Name	(E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
Molecular Formula	C24H23ClFN5O2
Molecular Weight	467.9
XLogP	4.5
Topological Polar Surface Area	90.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Heavy Atom Count	33
Formal Charge	0
Complexity	729

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

CAS: 257933-82-7

CID: 6445562

Formula: C24H23ClFN5O2

MW: 467.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	467.9
XLogP3	4.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	467.1524308
Monoisotopic Mass	467.1524308
Topological Polar Surface Area	90.3 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	729
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
019173	Pelitinib
ADC22334-01	Pelitinib-d6
A10706-100	Pelitinib 100mg
A10706-10	Pelitinib 10mg
HY-32718R-01	Pelitinib (Standard)
A10706-25	Pelitinib 25mg
A10706-5	Pelitinib 5mg

Pelitinib

Chemical Information

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