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EGFR ligand-9

CAT: 0804-HY-161537-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-161537-01Size:5 mg
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Description
EGFR ligand-9 is an EGFR ligand. EGFR ligand-9 can be used for synthesis of PROTAC EGFR degrader 9.
CAS Number
2992670-44-5
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-ligand-9.html
Purity
98.80
Solubility
DMSO : 200 mg/mL (ultrasonic)
Smiles
FC(F)(F)C(C(C1=CN(C2=CC=CC=C21)S(=O)(CC)=O)=N3)=CN=C3NC4=CC=C(C=C4)N5CCNCC5
Molecular Formula
C25H25F3N6O2S
Molecular Weight
530.57
References & Citations
[1]Zhang H, et al. Design, Synthesis, and Biological Evaluation of Novel EGFR PROTACs Targeting Del19/T790M/C797S Mutation. ACS Med Chem Lett. 2022 Jan 14;13 (2) :278-283.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

EGFR ligand-9
CAS Number2992670-44-5
PubChem CID171714289
IUPAC Name4-(1-ethylsulfonylindol-3-yl)-N-(4-piperazin-1-ylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine
Molecular FormulaC25H25F3N6O2S
Molecular Weight530.6
XLogP4.2
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count37
Formal Charge0
Complexity857
SMILES
CCS(=O)(=O)N1C=C(C2=CC=CC=C21)C3=NC(=NC=C3C(F)(F)F)NC4=CC=C(C=C4)N5CCNCC5
InChI
InChI=1S/C25H25F3N6O2S/c1-2-37(35,36)34-16-20(19-5-3-4-6-22(19)34)23-21(25(26,27)28)15-30-24(32-23)31-17-7-9-18(10-8-17)33-13-11-29-12-14-33/h3-10,15-16,29H,2,11-14H2,1H3,(H,30,31,32)
InChIKey
LOEILTAMPZKISF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of EGFR ligand-9
CAS: 2992670-44-5
CID: 171714289
Formula: C25H25F3N6O2S
MW: 530.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight530.6
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass530.17117972
Monoisotopic Mass530.17117972
Topological Polar Surface Area101 Ų
Heavy Atom Count37
Formal Charge0
Complexity857
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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T201728-01EGFR ligand-11
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T212305-01EGFR ligand-14
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MBS5815113EGFR/HER2-IN-9
GTR19273218-01EGFR/VEGFR2-IN-9
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GTR19264530-01EGFR Ligand-Linker Conjugates 1

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