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EGFR-IN-7

CAT: 0607-BA6342-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-BA6342-50Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2267329-76-8
Form
A solid
Molecular Formula
C32H41BrN9O2P
Molecular Weight
694.60
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Tqb3804

EGFR Mutant-selective Inhibitor TQB3804 is a fourth-generation, orally bioavailable, mutant-selective, epidermal growth factor receptor (EGFR) inhibitor, with potential antineoplastic activity. Upon oral administration, EGFR mutant-selective inhibitor TQB3804 binds to and inhibits the activity of mutant forms of EGFR, including the C797S EGFR mutant, thereby preventing EGFR-mediated signaling. This may both induce cell death and inhibit tumor growth in EGFR-overexpressing tumor cells. EGFR, a receptor tyrosine kinase mutated in many tumor cell types, plays a key role in tumor cell proliferation and tumor vascularization. TQB3804 inhibits mutated forms of EGFR including C797S, which prevents covalent bond formation with third-generation EGFR inhibitor osimertinib leading to drug resistance. TQB3804 may have enhanced anti-tumor effects in tumors with C797S-mediated resistance when compared to other EGFR tyrosine kinase inhibitors.

CAS Number2267329-76-8
PubChem CID138911391
IUPAC Name5-bromo-4-N-(5-dimethylphosphorylquinoxalin-6-yl)-2-N-[2-methoxy-5-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine
Molecular FormulaC32H41BrN9O2P
Molecular Weight694.6
XLogP4.4
Topological Polar Surface Area112
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Heavy Atom Count45
Formal Charge0
Complexity994
SMILES
CC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)C)OC)NC4=NC=C(C(=N4)NC5=C(C6=NC=CN=C6C=C5)P(=O)(C)C)Br
InChI
InChI=1S/C32H41BrN9O2P/c1-21-18-26(28(44-3)19-27(21)42-12-8-22(9-13-42)41-16-14-40(2)15-17-41)38-32-36-20-23(33)31(39-32)37-25-7-6-24-29(35-11-10-34-24)30(25)45(4,5)43/h6-7,10-11,18-20,22H,8-9,12-17H2,1-5H3,(H2,36,37,38,39)
InChIKey
ZYSKXRAGBGLELB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tqb3804
CAS: 2267329-76-8
CID: 138911391
Formula: C32H41BrN9O2P
MW: 694.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight694.6
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Exact Mass693.23042
Monoisotopic Mass693.23042
Topological Polar Surface Area112 Ų
Heavy Atom Count45
Formal Charge0
Complexity994
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

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CatalogName
T11161-01EGFR-IN-7
MBS5803977EGFR/HER2-IN-7
HY-179031EGFR/VEGFR2-IN-7
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HY-147858-01PROTAC EGFR degrader 7
A18562-500TQB3804 (EGFR-IN-7) 500mg
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