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PROTAC EGFR degrader 5

CAT: 0013-GTR19221162-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19221162-01Size:5 mg
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Description
PROTAC EGFR Degrader 5 (Compound 10) is a potent and selective degrader of EGFR Del19, demonstrating a DC50 of 34.8 nM in HCC827 cells. This small molecule induces apoptosis and G1 phase cell cycle arrest, supporting its use in targeted protein degradation research for oncology, both in vitro and in vivo.
CAS Number
2409793-36-6
Field of Research
Cardiovascular Research, Cell Biology, Pharmacology & Drug Discovery, Signal Transduction
Smiles
Cc1ncsc1-c1ccc (CNC (=O) [C@@H]2C[C@@H] (O) CN2C (=O) [C@@H] (NC (=O) CCCCCCN2CCN (CC2) c2ccc (Nc3cc4c (nc (Nc5ccc (F) cc5) nc4cn3) N3CCC (CO) CC3) nc2) C (C) (C) C) cc1
Molecular Formula
C57H72FN13O5S
Molecular Weight
1070.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PROTAC EGFR degrader 5
CAS Number2409793-36-6
PubChem CID162669709
IUPAC Name(2S,4R)-1-[(2S)-2-[7-[4-[6-[[2-(4-fluoroanilino)-4-[4-(hydroxymethyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]amino]-3-pyridinyl]piperazin-1-yl]heptanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
Molecular FormulaC57H72FN13O5S
Molecular Weight1070.3
XLogP7.7
Topological Polar Surface Area245
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count17
Rotatable Bond Count21
Heavy Atom Count77
Formal Charge0
Complexity1850
SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCCN4CCN(CC4)C5=CN=C(C=C5)NC6=NC=C7C(=C6)C(=NC(=N7)NC8=CC=C(C=C8)F)N9CCC(CC9)CO)O
InChI
InChI=1S/C57H72FN13O5S/c1-37-51(77-36-62-37)40-12-10-38(11-13-40)31-61-54(75)47-29-44(73)34-71(47)55(76)52(57(2,3)4)66-50(74)9-7-5-6-8-22-68-25-27-69(28-26-68)43-18-19-48(59-32-43)65-49-30-45-46(33-60-49)64-56(63-42-16-14-41(58)15-17-42)67-53(45)70-23-20-39(35-72)21-24-70/h10-19,30,32-33,36,39,44,47,52,72-73H,5-9,20-29,31,34-35H2,1-4H3,(H,61,75)(H,66,74)(H,59,60,65)(H,63,64,67)/t44-,47+,52-/m1/s1
InChIKey
LCTCXOPSLJEXKE-FEDPBZRBSA-N
Chemical Structure
2D Structure
2D structure of PROTAC EGFR degrader 5
CAS: 2409793-36-6
CID: 162669709
Formula: C57H72FN13O5S
MW: 1070.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1070.3
XLogP37.7
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count17
Rotatable Bond Count21
Exact Mass1069.54841178
Monoisotopic Mass1069.54841178
Topological Polar Surface Area245 Ų
Heavy Atom Count77
Formal Charge0
Complexity1850
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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