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KU004

CAT: 0013-GTR19237474-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19237474-02Size:10 mg
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Description
KU004 is a novel quinazoline-based dual EGFR/HER2 inhibitor. It demonstrates anticancer activity by blocking HER2/EGFR and downstream Akt/Erk signaling, inducing G1 arrest and extrinsic apoptosis in SKBR3 breast cancer cells in vitro. This mechanism supports its research use in studying targeted oncology pathways.
CAS Number
1260401-93-1
Field of Research
Cardiovascular Research, Cell Biology, Signal Transduction
Smiles
O=P1 (C) CCN (CC#CC=2C=CC3=NC=NC (NC4=CC=C (OCC=5C=CC=C (F) C5) C (Cl) =C4) =C3C2) CC1
Molecular Formula
C29H27ClFN4O2P
Molecular Weight
548.98
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[3-(4-methyl-4-oxo-1,4lambda5-azaphosphinan-1-yl)prop-1-ynyl]quinazolin-4-amine
CAS Number1260401-93-1
PubChem CID49837706
IUPAC NameN-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[3-(4-methyl-4-oxo-1,4lambda5-azaphosphinan-1-yl)prop-1-ynyl]quinazolin-4-amine
Molecular FormulaC29H27ClFN4O2P
Molecular Weight549.0
XLogP4.8
Topological Polar Surface Area67.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count38
Formal Charge0
Complexity886
SMILES
CP1(=O)CCN(CC1)CC#CC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl
InChI
InChI=1S/C29H27ClFN4O2P/c1-38(36)14-12-35(13-15-38)11-3-5-21-7-9-27-25(17-21)29(33-20-32-27)34-24-8-10-28(26(30)18-24)37-19-22-4-2-6-23(31)16-22/h2,4,6-10,16-18,20H,11-15,19H2,1H3,(H,32,33,34)
InChIKey
RVCHTNUTMMKICL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[3-(4-methyl-4-oxo-1,4lambda5-azaphosphinan-1-yl)prop-1-ynyl]quinazolin-4-amine
CAS: 1260401-93-1
CID: 49837706
Formula: C29H27ClFN4O2P
MW: 549.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight549.0
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass548.1544190
Monoisotopic Mass548.1544190
Topological Polar Surface Area67.4 Ų
Heavy Atom Count38
Formal Charge0
Complexity886
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
HY-164489KU004

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