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Selatinib

CAT: 0931-T34602-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T34602-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1275595-86-2
Target
EGFR
Related Pathways
Angiogenesis, Tyrosine Kinase/Adaptors, JAK/STAT signaling
Purity
0.98
Bioactivity
Selatinib is an orally active and potent dual inhibitor of EGFR and ErbB2 with anticancer activity that inhibits the growth of NCI-N87 tumor cells.
Smiles
CS(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Molecular Formula
C29H26ClFN4O3S
Molecular Weight
565.06
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Selatinib

Selatinib is an orally bioavailable dual inhibitor of epidermal growth factor receptor (EGFR) and human epidermal growth factor receptor 2 (ErbB-2 or HER-2), and an analog of the quinazoline lapatinib, with potential antineoplastic activity. Upon administration, selatinib reversibly blocks phosphorylation of both EGFR and ErbB2, thereby suppressing tumor growth in EGFR/ErbB-2-overexpressing tumor cells. The tyrosine kinases EGFR and ErbB2 have been implicated in the growth of various tumor types.

CAS Number1275595-86-2
PubChem CID51348455
IUPAC NameN-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfinylethylamino)methyl]furan-2-yl]quinazolin-4-amine
Molecular FormulaC29H26ClFN4O3S
Molecular Weight565.1
XLogP4.8
Topological Polar Surface Area108
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Heavy Atom Count39
Formal Charge0
Complexity787
SMILES
CS(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl
InChI
InChI=1S/C29H26ClFN4O3S/c1-39(36)12-11-32-16-23-7-10-27(38-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)37-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)
InChIKey
OAMVGUFHZPRXOM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Selatinib
CAS: 1275595-86-2
CID: 51348455
Formula: C29H26ClFN4O3S
MW: 565.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight565.1
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass564.1398177
Monoisotopic Mass564.1398177
Topological Polar Surface Area108 Ų
Heavy Atom Count39
Formal Charge0
Complexity787
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA6360-25Selatinib
AR-S10049-01N-Nitroso Selatinib

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