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PROTAC EGFR degrader 3

CAT: 0013-GTR19221310-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19221310-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PROTAC EGFR Degrader 3 is a potent and selective compound that effectively degrades mutant EGFR in cellular models such as H1975 and HCC827 cells. Its mechanism involves lysosomal pathways, making it a valuable chemical probe for studying targeted protein degradation in oncology research, both in vitro and in vivo.
CAS Number
2768472-28-0
Field of Research
Cardiovascular Research, Cell Biology, Pharmacology & Drug Discovery, Signal Transduction
Smiles
C[C@H] (NC (=O) [C@@H]1C[C@@H] (O) CN1C (=O) [C@@H] (NC (=O) CCCCCCCN1CCN (CC1) c1ccc (Nc2ncc3nc (Nc4ccccc4) n ([C@H]4CCCN (C4) C (=O) C=C) c3n2) cc1) C (C) (C) C) c1ccc (cc1) -c1scnc1C
Molecular Formula
C60H77N13O5S
Molecular Weight
1092.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PROTAC EGFR degrader 3
CAS Number2768472-28-0
PubChem CID162513220
IUPAC Name(2S,4R)-1-[(2S)-2-[8-[4-[4-[[8-anilino-9-[(3S)-1-prop-2-enoylpiperidin-3-yl]purin-2-yl]amino]phenyl]piperazin-1-yl]octanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
Molecular FormulaC60H77N13O5S
Molecular Weight1092.4
XLogP8.9
Topological Polar Surface Area234
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count14
Rotatable Bond Count22
Heavy Atom Count79
Formal Charge0
Complexity1970
SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCCCN4CCN(CC4)C5=CC=C(C=C5)NC6=NC=C7C(=N6)N(C(=N7)NC8=CC=CC=C8)[C@H]9CCCN(C9)C(=O)C=C)O
InChI
InChI=1S/C60H77N13O5S/c1-7-52(76)71-30-16-19-47(37-71)73-55-49(66-59(73)65-44-17-12-11-13-18-44)36-61-58(68-55)64-45-25-27-46(28-26-45)70-33-31-69(32-34-70)29-15-10-8-9-14-20-51(75)67-54(60(4,5)6)57(78)72-38-48(74)35-50(72)56(77)63-40(2)42-21-23-43(24-22-42)53-41(3)62-39-79-53/h7,11-13,17-18,21-28,36,39-40,47-48,50,54,74H,1,8-10,14-16,19-20,29-35,37-38H2,2-6H3,(H,63,77)(H,65,66)(H,67,75)(H,61,64,68)/t40-,47-,48+,50-,54+/m0/s1
InChIKey
RYXQXEGTLNBKEC-DKQRTKIFSA-N
Chemical Structure
2D Structure
2D structure of PROTAC EGFR degrader 3
CAS: 2768472-28-0
CID: 162513220
Formula: C60H77N13O5S
MW: 1092.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1092.4
XLogP38.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count14
Rotatable Bond Count22
Exact Mass1091.58913378
Monoisotopic Mass1091.58913378
Topological Polar Surface Area234 Ų
Heavy Atom Count79
Formal Charge0
Complexity1970
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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