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EGFR-IN-117

CAT: 0804-HY-161785Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-161785Size:1 Each
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Description
EGFR-IN-117 (Compound 8h) exhibits inhibitory activity against EGFR mutation, targets the tumor environment, and induces apoptosis of cancer cells. EGFR-IN-117 inhibits proliferations of H1975, PC-9, and EGFR mutant cells BaF3-EGFRL858R/T790M/C797S and BaF3–C797S/Del19/T790M, with IC50 of 13 nM, 19 nM, 1.2 nM and 1.3 nM, respectively. EGFR-IN-117 exhibits antitumor efficacy in mouse models[1].
CAS Number
3035639-05-2
UNSPSC
12352005
Target
Apoptosis; EGFR
Type
Reference compound
Related Pathways
Apoptosis; JAK/STAT Signaling; Protein Tyrosine Kinase/RTK
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/egfr-in-117.html
Smiles
O=S(NC1=CC=CC=C1NC2=NC(NC3=CC=C(N4CCCN(C)CC4)C=C3)=NC=C2Br)(C5CC5)=O
Molecular Formula
C25H30BrN7O2S
Molecular Weight
572.52
References & Citations
[1]Yao H, et al., Discovery of new cyclopropane sulfonamide derivatives as EGFR inhibitors to overcome C797S-mediated resistance and EGFR double mutation. Eur J Med Chem. 2024 Jun 16;275:116590.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Egfr-IN-117
CAS Number3035639-05-2
PubChem CID171904685
IUPAC NameN-[2-[[5-bromo-2-[4-(4-methyl-1,4-diazepan-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]cyclopropanesulfonamide
Molecular FormulaC25H30BrN7O2S
Molecular Weight572.5
XLogP4.5
Topological Polar Surface Area111
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity803
SMILES
CN1CCCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4NS(=O)(=O)C5CC5)Br
InChI
InChI=1S/C25H30BrN7O2S/c1-32-13-4-14-33(16-15-32)19-9-7-18(8-10-19)28-25-27-17-21(26)24(30-25)29-22-5-2-3-6-23(22)31-36(34,35)20-11-12-20/h2-3,5-10,17,20,31H,4,11-16H2,1H3,(H2,27,28,29,30)
InChIKey
CMLZWOZIYPTVCH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Egfr-IN-117
CAS: 3035639-05-2
CID: 171904685
Formula: C25H30BrN7O2S
MW: 572.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight572.5
XLogP34.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass571.13651
Monoisotopic Mass571.13651
Topological Polar Surface Area111 Ų
Heavy Atom Count36
Formal Charge0
Complexity803
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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