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Lapatinib

CAT: 0931-T0078-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T0078-04Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
231277-92-2
Target
Ferroptosis, Autophagy, EGFR
Related Pathways
JAK/STAT signaling, Apoptosis, Angiogenesis, Autophagy, Tyrosine Kinase/Adaptors
Purity
0.9989
Bioactivity
Lapatinib (GW572016) is an inhibitor of ErbB2 and EGFR (IC50=9.2/10.8 nM) with oral activity. Lapatinib has antitumor activity and can be used to treat advanced or metastatic breast cancer with HER2 overexpression.
Smiles
N(C=1C2=C(C=CC(=C2)C=3OC(CNCCS(C)(=O)=O)=CC3)N=CN1)C4=CC(Cl)=C(OCC5=CC(F)=CC=C5)C=C4
Molecular Formula
C29H26ClFN4O4S
Molecular Weight
581.06
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Lapatinib

Lapatinib is a member of furans, an organochlorine compound, an organofluorine compound and a member of quinazolines. It has a role as an antineoplastic agent and a tyrosine kinase inhibitor. It is functionally related to a monofluorobenzene.

CAS Number231277-92-2
PubChem CID208908
IUPAC NameN-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine
Molecular FormulaC29H26ClFN4O4S
Molecular Weight581.1
XLogP5.1
Topological Polar Surface Area115
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Heavy Atom Count40
Formal Charge0
Complexity898
SMILES
CS(=O)(=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/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)
InChIKey
BCFGMOOMADDAQU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lapatinib
CAS: 231277-92-2
CID: 208908
Formula: C29H26ClFN4O4S
MW: 581.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight581.1
XLogP35.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass580.1347324
Monoisotopic Mass580.1347324
Topological Polar Surface Area115 Ų
Heavy Atom Count40
Formal Charge0
Complexity898
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

Alternative Products

CatalogName
A8218-100Lapatinib

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