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PROTAC EGFR degrader 11

CAT: 0013-GTR19234140-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19234140-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PROTAC EGFR degrader 11 (Compound B71) is a potent CRBN-based degrader with a DC50 <100 nM for EGFR, also degrading FAK and RSK1. It inhibits proliferation of BaF3 cells (IC50 <100 nM), supporting its use in targeted protein degradation research for oncology, both in vitro and in vivo.
CAS Number
3034244-71-5
Field of Research
Cardiovascular Research, Cell Biology, Pharmacology & Drug Discovery, Signal Transduction
Smiles
O=C1NC (=O) C (C2=CC=C (C=C2F) N3CCC (OCCN4CCN (CC4) C5CCN (C6=CC (OC) =C (C=C6CC) NC7=NC=C (Cl) C (=N7) NC8=CC=C (OC) C=C8N (C) S (=O) (=O) C) CC5) CC3) CC1
Molecular Formula
C49H64ClFN10O7S
Molecular Weight
991.61
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PROTAC EGFR degrader 11
CAS Number3034244-71-5
PubChem CID171491423
IUPAC NameN-[2-[[5-chloro-2-[4-[4-[4-[2-[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]oxyethyl]piperazin-1-yl]piperidin-1-yl]-5-ethyl-2-methoxyanilino]pyrimidin-4-yl]amino]-5-methoxyphenyl]-N-methylmethanesulfonamide
Molecular FormulaC49H64ClFN10O7S
Molecular Weight991.6
XLogP6.4
Topological Polar Surface Area182
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count17
Rotatable Bond Count17
Heavy Atom Count69
Formal Charge0
Complexity1750
SMILES
CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)CCOC4CCN(CC4)C5=CC(=C(C=C5)C6CCC(=O)NC6=O)F)OC)NC7=NC=C(C(=N7)NC8=C(C=C(C=C8)OC)N(C)S(=O)(=O)C)Cl
InChI
InChI=1S/C49H64ClFN10O7S/c1-6-32-27-42(54-49-52-31-39(50)47(56-49)53-41-11-8-36(66-3)29-44(41)57(2)69(5,64)65)45(67-4)30-43(32)61-17-13-33(14-18-61)60-23-21-58(22-24-60)25-26-68-35-15-19-59(20-16-35)34-7-9-37(40(51)28-34)38-10-12-46(62)55-48(38)63/h7-9,11,27-31,33,35,38H,6,10,12-26H2,1-5H3,(H,55,62,63)(H2,52,53,54,56)
InChIKey
QPJWRROVVFTCTR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PROTAC EGFR degrader 11
CAS: 3034244-71-5
CID: 171491423
Formula: C49H64ClFN10O7S
MW: 991.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight991.6
XLogP36.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count17
Rotatable Bond Count17
Exact Mass990.4352714
Monoisotopic Mass990.4352714
Topological Polar Surface Area182 Ų
Heavy Atom Count69
Formal Charge0
Complexity1750
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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