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EGFR-IN-61

CAT: 0013-GTR19212369-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19212369-01Size:25 mg
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Description
EGFR-IN-61 is a potent and selective EGFR kinase inhibitor, showing nanomolar IC50 values against mutant forms including L858R/T790M and L858R/T790M/C797S. It demonstrates antiproliferative activity in cellular assays using A549 and H1975 cancer cell lines, making it a useful research tool for studying EGFR-driven oncogenesis and resistance mechanisms.
CAS Number
2890261-81-9
Field of Research
Cardiovascular Research, Cell Biology, Signal Transduction
Smiles
CN (C) CCN (C) C1=CC (=C (C=C1NC (=O) C2=CC (=NC=C2) Cl) NC3=NC=CC (=N3) C4=CN (C5=CC=CC=C54) CCCO) OC
Molecular Formula
C33H37ClN8O3
Molecular Weight
629.15
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Egfr-IN-61
CAS Number2890261-81-9
PubChem CID164517099
IUPAC Name2-chloro-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[1-(3-hydroxypropyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]pyridine-4-carboxamide
Molecular FormulaC33H37ClN8O3
Molecular Weight629.1
XLogP4.3
Topological Polar Surface Area121
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Heavy Atom Count45
Formal Charge0
Complexity919
SMILES
CN(C)CCN(C)C1=CC(=C(C=C1NC(=O)C2=CC(=NC=C2)Cl)NC3=NC=CC(=N3)C4=CN(C5=CC=CC=C54)CCCO)OC
InChI
InChI=1S/C33H37ClN8O3/c1-40(2)15-16-41(3)29-20-30(45-4)27(19-26(29)37-32(44)22-10-12-35-31(34)18-22)39-33-36-13-11-25(38-33)24-21-42(14-7-17-43)28-9-6-5-8-23(24)28/h5-6,8-13,18-21,43H,7,14-17H2,1-4H3,(H,37,44)(H,36,38,39)
InChIKey
XELFLRFPUQAHBD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Egfr-IN-61
CAS: 2890261-81-9
CID: 164517099
Formula: C33H37ClN8O3
MW: 629.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight629.1
XLogP34.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Exact Mass628.2677148
Monoisotopic Mass628.2677148
Topological Polar Surface Area121 Ų
Heavy Atom Count45
Formal Charge0
Complexity919
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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