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PROTAC EGFR degrader 5

CAT: 0804-HY-146422Size: 1 EachDry Ice: NoHazardous: No
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Description
PROTAC EGFR degrader 5 (Compound 10), a PROTAC EGFR degrader, potently degrades EGFRDel19 in HCC827 cells with the DC50 of 34.8 nM. PROTAC EGFR degrader 5 significantly induces the apoptosis of HCC827 cells and arrest the cells in G1 phase[1].
CAS Number
2409793-36-6
UNSPSC
12352005
Target
Apoptosis; EGFR; PROTACs
Type
Reference compound
Related Pathways
Apoptosis; JAK/STAT Signaling; PROTAC; Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/protac-egfr-degrader-5.html
Solubility
10 mM in DMSO
Smiles
CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC(CCCCCCN4CCN(CC4)C5=CC=C(N=C5)NC6=NC=C7N=C(N=C(C7=C6)N8CCC(CC8)CO)NC9=CC=C(C=C9)F)=O)=O)O)=O
Molecular Formula
C57H72FN13O5S
Molecular Weight
1070.33
References & Citations
[1]Hao Zhang, et al. Discovery of potent epidermal growth factor receptor (EGFR) degraders by proteolysis targeting chimera (PROTAC) . Eur J Med Chem. 2020 Mar 1;189:112061.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
EGFR/ErbB1/HER1

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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