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PROTAC EGFR degrader 6

CAT: 0804-HY-146423Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-146423Size:1 Each
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Description
PROTAC EGFR degrader 6, a PROTAC EGFR degrader, potently degrades EGFRDel19 in HCC827 cells with the DC50 of 45.2 nM. PROTAC EGFR degrader 6 significantly induces the apoptosis of HCC827 cells and arrest the cells in G1 phase[1].
CAS Number
2409793-28-6
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-6.html
Solubility
10 mM in DMSO
Smiles
O=C1CCC(C(N1)=O)N2CC3=C(C2=O)C=CC=C3NC(CCCCCCCN4CCN(CC4)C5=CC=C(N=C5)NC6=NC=C7N=C(N=C(C7=C6)N8CCC(CC8)CO)NC9=CC=C(C=C9)F)=O
Molecular Formula
C49H57FN12O5
Molecular Weight
913.05
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

Chemical Information

PROTAC EGFR degrader 6
CAS Number2409793-28-6
PubChem CID162667990
IUPAC NameN-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-8-[4-[6-[[2-(4-fluoroanilino)-4-[4-(hydroxymethyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]amino]-3-pyridinyl]piperazin-1-yl]octanamide
Molecular FormulaC49H57FN12O5
Molecular Weight913.1
XLogP5.3
Topological Polar Surface Area201
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count17
Heavy Atom Count67
Formal Charge0
Complexity1640
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3NC(=O)CCCCCCCN4CCN(CC4)C5=CN=C(C=C5)NC6=NC=C7C(=C6)C(=NC(=N7)NC8=CC=C(C=C8)F)N9CCC(CC9)CO
InChI
InChI=1S/C49H57FN12O5/c50-33-10-12-34(13-11-33)53-49-55-40-29-52-43(27-37(40)46(58-49)61-21-18-32(31-63)19-22-61)56-42-16-14-35(28-51-42)60-25-23-59(24-26-60)20-5-3-1-2-4-9-44(64)54-39-8-6-7-36-38(39)30-62(48(36)67)41-15-17-45(65)57-47(41)66/h6-8,10-14,16,27-29,32,41,63H,1-5,9,15,17-26,30-31H2,(H,54,64)(H,51,52,56)(H,53,55,58)(H,57,65,66)
InChIKey
ZWLPWTDAYPOQGR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PROTAC EGFR degrader 6
CAS: 2409793-28-6
CID: 162667990
Formula: C49H57FN12O5
MW: 913.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight913.1
XLogP35.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count17
Exact Mass912.45589113
Monoisotopic Mass912.45589113
Topological Polar Surface Area201 Ų
Heavy Atom Count67
Formal Charge0
Complexity1640
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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