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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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 Number	2267329-76-8
PubChem CID	138911391
IUPAC Name	5-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 Formula	C32H41BrN9O2P
Molecular Weight	694.6
XLogP	4.4
Topological Polar Surface Area	112
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	8
Heavy Atom Count	45
Formal Charge	0
Complexity	994

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

CAS: 2267329-76-8

CID: 138911391

Formula: C32H41BrN9O2P

MW: 694.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	694.6
XLogP3	4.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	8
Exact Mass	693.23042
Monoisotopic Mass	693.23042
Topological Polar Surface Area	112 Å²
Heavy Atom Count	45
Formal Charge	0
Complexity	994
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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BA6377-5.1	EGFR-IN-8
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C8546-50	EGFR-IN-59
BA6394-5	EGFR-IN-5
BA6340-5	EGFR-IN-3

Alternative Products

Catalog	Name
GTR19156854-01	EGFR-IN-7
HY-179031	EGFR/VEGFR2-IN-7
T61272-01	EGFR/HER2-IN-7
T89895-01	EGFR kinase inhibitor 7
T86348-01	EGFR T790M/L858R-IN-7
A18562-10	TQB3804 (EGFR-IN-7) 10mg
A18562-5	TQB3804 (EGFR-IN-7) 5mg
A18562-1	TQB3804 (EGFR-IN-7) 1mg
HY-147858-01	PROTAC EGFR degrader 7
A18562-500	TQB3804 (EGFR-IN-7) 500mg

EGFR-IN-7

Chemical Information

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