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PROTAC EGFR degrader 8

CAT: 0013-GTR19230673-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19230673-01Size:5 mg
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Description
PROTAC EGFR degrader 8 (T-184) is a potent and selective degrader of EGFR, demonstrating a DC50 of 15.56 nM in HCC827 cells and anti-proliferative activity in NSCLC lines like H1975 and PC-9. It serves as a valuable chemical tool for investigating targeted protein degradation in non-small cell lung cancer research, both in vitro and in vivo.
CAS Number
2925923-46-0
Field of Research
Cardiovascular Research, Cell Biology, Pharmacology & Drug Discovery, Signal Transduction
Smiles
O (C) C=1C=C (C=CC1NC=2N=C (NC3=C (C (NC) =O) C=CC=C3) C (Cl) =CN2) N4CCN (C (CN5CCN (CC5) C6=CC=C (NC7C (=O) NC (=O) CC7) C=C6) =O) CC4
Molecular Formula
C40H46ClN11O5
Molecular Weight
796.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PROTAC EGFR degrader 8
CAS Number2925923-46-0
PubChem CID168476135
IUPAC Name2-[[5-chloro-2-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperazin-1-yl]acetyl]piperazin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide
Molecular FormulaC40H46ClN11O5
Molecular Weight796.3
XLogP4.6
Topological Polar Surface Area176
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count12
Heavy Atom Count57
Formal Charge0
Complexity1360
SMILES
CNC(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)C(=O)CN5CCN(CC5)C6=CC=C(C=C6)NC7CCC(=O)NC7=O)OC
InChI
InChI=1S/C40H46ClN11O5/c1-42-38(55)29-5-3-4-6-31(29)45-37-30(41)24-43-40(48-37)46-32-12-11-28(23-34(32)57-2)51-19-21-52(22-20-51)36(54)25-49-15-17-50(18-16-49)27-9-7-26(8-10-27)44-33-13-14-35(53)47-39(33)56/h3-12,23-24,33,44H,13-22,25H2,1-2H3,(H,42,55)(H,47,53,56)(H2,43,45,46,48)
InChIKey
YDHBIZKMLPNNQN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PROTAC EGFR degrader 8
CAS: 2925923-46-0
CID: 168476135
Formula: C40H46ClN11O5
MW: 796.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight796.3
XLogP34.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count12
Exact Mass795.3371913
Monoisotopic Mass795.3371913
Topological Polar Surface Area176 Ų
Heavy Atom Count57
Formal Charge0
Complexity1360
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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