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EGFR-IN-28

CAT: 0804-HY-142681Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-142681Size:1 Each
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Description
EGFR-IN-28 is a potent EGFR inhibitor. EGFR-IN-28 has antitumor activity[1].
CAS Number
2754392-31-7
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-28.html
Solubility
10 mM in DMSO
Smiles
CS(=O)(N(C1=C2N=CC=NC2=CC=C1NC3=NC(NC4=CC=C(N5CCC(N6CCN(C)CC6)CC5)C=C4OC)=NC=C3Br)C)=O
Molecular Formula
C31H39BrN10O3S
Molecular Weight
711.68
References & Citations
[1]Xianming Deng, et al. EGFR inhibitor, preparation method and application thereof. WO2021238827A1.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
EGFR/ErbB1/HER1

Chemical Information

Egfr-IN-28
CAS Number2754392-31-7
PubChem CID166872501
IUPAC NameN-[6-[[5-bromo-2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]amino]quinoxalin-5-yl]-N-methylmethanesulfonamide
Molecular FormulaC31H39BrN10O3S
Molecular Weight711.7
XLogP3.6
Topological Polar Surface Area140
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Heavy Atom Count46
Formal Charge0
Complexity1070
SMILES
CN1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=C(C6=NC=CN=C6C=C5)N(C)S(=O)(=O)C)Br)OC
InChI
InChI=1S/C31H39BrN10O3S/c1-39-15-17-42(18-16-39)21-9-13-41(14-10-21)22-5-6-24(27(19-22)45-3)37-31-35-20-23(32)30(38-31)36-26-8-7-25-28(34-12-11-33-25)29(26)40(2)46(4,43)44/h5-8,11-12,19-21H,9-10,13-18H2,1-4H3,(H2,35,36,37,38)
InChIKey
HFECFFOTIRJWCG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Egfr-IN-28
CAS: 2754392-31-7
CID: 166872501
Formula: C31H39BrN10O3S
MW: 711.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight711.7
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Exact Mass710.21107
Monoisotopic Mass710.21107
Topological Polar Surface Area140 Ų
Heavy Atom Count46
Formal Charge0
Complexity1070
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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