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EGFR-IN-30

CAT: 0804-HY-144044Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-144044Size:1 Each
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Description
EGFR-IN-30 is a potent EGFR inhibitor with IC50s of 1-10 nM, [1].
CAS Number
2726463-68-7
UNSPSC
12352005
Target
EGFR
Type
Reference compound
Related Pathways
JAK/STAT Signaling; Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/egfr-in-30.html
Solubility
10 mM in DMSO
Smiles
O=P(C)(C)C1=C(NC2=NC(NC3=C(OC)C=C4N(C(C)C)CCC5=C(C=NN5C)C4=C3)=NC=C2Br)C=CC=C1
Molecular Formula
C28H33BrN7O2P
Molecular Weight
610.49
References & Citations
[1]Shansong Zheng, et al. Tricyclic compounds as EGFR inhibitors. WO2021208918A1.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
EGFR/ErbB1/HER1

Chemical Information

Egfr-IN-30
CAS Number2726463-68-7
PubChem CID163196338
IUPAC Name5-bromo-4-N-(2-dimethylphosphorylphenyl)-2-N-(8-methoxy-3-methyl-6-propan-2-yl-4,5-dihydropyrazolo[5,4-d][1]benzazepin-9-yl)pyrimidine-2,4-diamine
Molecular FormulaC28H33BrN7O2P
Molecular Weight610.5
XLogP5.1
Topological Polar Surface Area97.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count39
Formal Charge0
Complexity864
SMILES
CC(C)N1CCC2=C(C=NN2C)C3=CC(=C(C=C31)OC)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Br
InChI
InChI=1S/C28H33BrN7O2P/c1-17(2)36-12-11-23-19(15-31-35(23)3)18-13-22(25(38-4)14-24(18)36)33-28-30-16-20(29)27(34-28)32-21-9-7-8-10-26(21)39(5,6)37/h7-10,13-17H,11-12H2,1-6H3,(H2,30,32,33,34)
InChIKey
GPRZWEDMKSTCPZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Egfr-IN-30
CAS: 2726463-68-7
CID: 163196338
Formula: C28H33BrN7O2P
MW: 610.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight610.5
XLogP35.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass609.16167
Monoisotopic Mass609.16167
Topological Polar Surface Area97.2 Ų
Heavy Atom Count39
Formal Charge0
Complexity864
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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Alternative Products

CatalogName
GTR19212384-01EGFR-IN-30
sc-80543EGFR (EGFR.1)
ant-042EGFR

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