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PROTAC GPX4 degrader-4

CAT: 0931-T207431-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T207431-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3071165-43-7
Target
Glutathione Peroxidase, ROS Kinase, Ferroptosis
Related Pathways
Tyrosine Kinase/Adaptors, Metabolism, Apoptosis
Bioactivity
PROTACGPX4 degrader-4 is a GPX4 PROTAC degrader with a DC50 of 5.32 nM. It inhibits the activity of cancer cell lines RT4, T24, and J82 with IC50 values of 0.09, 2.97, and 7.58 μM, respectively. This compound elevates lipid ROS levels and induces ferroptosis in T24 and RT4 cells. In T24 tumor-bearing BALB/c nude mouse models, PROTACGPX4 degrader-4 demonstrates antitumor activity. It is applicable to bladder cancer research.
Smiles
C[C@@H]1[C@]2([C@]34[C@](O[C@H]1OC(CCC(OCCCCCCCCCCCOC5=C6C(C(=O)N(C6=O)C7C(=O)NC(=O)CC7)=CC=C5)=O)=O)(O[C@](C)(OO3)CC[C@]4([C@H](C)CC2)[H])[H])[H]
Molecular Formula
C43H58N2O13
Molecular Weight
810.93
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

PROTAC GPX4 degrader-4
CAS Number3071165-43-7
PubChem CID177822968
IUPAC Name1-O-[11-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyundecyl] 4-O-[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl] butanedioate
Molecular FormulaC43H58N2O13
Molecular Weight810.9
XLogP6.9
Topological Polar Surface Area182
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count20
Heavy Atom Count58
Formal Charge0
Complexity1540
SMILES
C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC(=O)CCC(=O)OCCCCCCCCCCCOC5=CC=CC6=C5C(=O)N(C6=O)C7CCC(=O)NC7=O)C
InChI
InChI=1S/C43H58N2O13/c1-26-16-17-30-27(2)40(55-41-43(30)29(26)22-23-42(3,56-41)57-58-43)54-35(48)21-20-34(47)53-25-12-10-8-6-4-5-7-9-11-24-52-32-15-13-14-28-36(32)39(51)45(38(28)50)31-18-19-33(46)44-37(31)49/h13-15,26-27,29-31,40-41H,4-12,16-25H2,1-3H3,(H,44,46,49)/t26-,27-,29+,30+,31?,40-,41-,42-,43-/m1/s1
InChIKey
MCBMTNSBELAHAW-UTLDPZNTSA-N
Chemical Structure
2D Structure
2D structure of PROTAC GPX4 degrader-4
CAS: 3071165-43-7
CID: 177822968
Formula: C43H58N2O13
MW: 810.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight810.9
XLogP36.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count20
Exact Mass810.39388991
Monoisotopic Mass810.39388991
Topological Polar Surface Area182 Ų
Heavy Atom Count58
Formal Charge0
Complexity1540
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-174086PROTAC GPX4 degrader-4
HY-178925PROTAC GPX4 degrader-5
HY-161930PROTAC GPX4 degrader-3
GTR19220918-01PROTAC GPX4 degrader-1
GTR19261719-01PROTAC GPX4 degrader-2
HY-128408PROTAC BTK Degrader-4
HY-178796PROTAC LRRK2 Degrader-4
HY-176180PROTAC STING degrader-4
JFC27550-01PROTAC cIAP1 degrader-4
HY-111848PROTAC AR Degrader-4

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