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DY3002

CAT: 0013-GTR19197721-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197721-02Size:50 mg
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Description
DY3002 is a novel, selective EGFR inhibitor designed to overcome T790M-mediated resistance in NSCLC. It demonstrates potent activity in both biochemical and cellular assays and has shown efficacy in preclinical in vivo models of non-small cell lung cancer.
CAS Number
2020015-37-4
Field of Research
Metabolism Research
Smiles
N (C1=NC (NC2=CC=C (CN3CCOCC3) C=C2) =NC=C1Cl) C4=CC (NC (C=C) =O) =CC=C4
Molecular Formula
C24H25ClN6O2
Molecular Weight
464.95
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[3-[[5-chloro-2-[4-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CAS Number2020015-37-4
PubChem CID145990338
IUPAC NameN-[3-[[5-chloro-2-[4-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
Molecular FormulaC24H25ClN6O2
Molecular Weight464.9
XLogP3.8
Topological Polar Surface Area91.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity626
SMILES
C=CC(=O)NC1=CC=CC(=C1)NC2=NC(=NC=C2Cl)NC3=CC=C(C=C3)CN4CCOCC4
InChI
InChI=1S/C24H25ClN6O2/c1-2-22(32)27-19-4-3-5-20(14-19)28-23-21(25)15-26-24(30-23)29-18-8-6-17(7-9-18)16-31-10-12-33-13-11-31/h2-9,14-15H,1,10-13,16H2,(H,27,32)(H2,26,28,29,30)
InChIKey
FDXMKVBFOCDXQZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[3-[[5-chloro-2-[4-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CAS: 2020015-37-4
CID: 145990338
Formula: C24H25ClN6O2
MW: 464.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight464.9
XLogP33.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass464.1727518
Monoisotopic Mass464.1727518
Topological Polar Surface Area91.4 Ų
Heavy Atom Count33
Formal Charge0
Complexity626
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
MBS5776943DY3002

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