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PROTAC SGK3 degrader-1

CAT: 0013-GTR19204237-01Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19204237-01Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SGK3-PROTAC1 is a heterobifunctional degrader that recruits the VHL E3 ligase to SGK3, leading to its proteasomal degradation. This compound, CAS 5017-88-83-4, has been shown to inhibit cancer cell proliferation in vitro, including countering GDC0941-induced proliferation, making it a valuable tool for studying SGK3 biology in oncology research.
CAS Number
2381320-35-8
Field of Research
Metabolism Research, Pharmacology & Drug Discovery, Signal Transduction
Smiles
Cc1ncsc1-c1ccc (CNC (=O) [C@@H]2C[C@@H] (O) CN2C (=O) [C@@H] (NC (=O) COCCOCCOCCCCCCN2CCO[C@@H] (COc3nc (nc4[nH]ncc34) -c3ccc (NS (=O) (=O) c4cc (C) ccc4F) cc3) C2) C (C) (C) C) cc1
Molecular Formula
C57H73FN10O11S2
Molecular Weight
1157.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PROTAC SGK3 degrader-1
CAS Number2381320-35-8
PubChem CID139035049
IUPAC Name(2S,4R)-1-[(2S)-2-[[2-[2-[2-[6-[(2R)-2-[[6-[4-[(2-fluoro-5-methylphenyl)sulfonylamino]phenyl]-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxymethyl]morpholin-4-yl]hexoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
Molecular FormulaC57H73FN10O11S2
Molecular Weight1157.4
XLogP6
Topological Polar Surface Area298
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count19
Rotatable Bond Count29
Heavy Atom Count81
Formal Charge0
Complexity2050
SMILES
CC1=CC(=C(C=C1)F)S(=O)(=O)NC2=CC=C(C=C2)C3=NC4=C(C=NN4)C(=N3)OC[C@H]5CN(CCO5)CCCCCCOCCOCCOCC(=O)N[C@H](C(=O)N6C[C@@H](C[C@H]6C(=O)NCC7=CC=C(C=C7)C8=C(N=CS8)C)O)C(C)(C)C
InChI
InChI=1S/C57H73FN10O11S2/c1-37-10-19-46(58)48(28-37)81(73,74)66-42-17-15-41(16-18-42)52-63-53-45(31-61-65-53)55(64-52)79-34-44-33-67(21-23-78-44)20-8-6-7-9-22-75-24-25-76-26-27-77-35-49(70)62-51(57(3,4)5)56(72)68-32-43(69)29-47(68)54(71)59-30-39-11-13-40(14-12-39)50-38(2)60-36-80-50/h10-19,28,31,36,43-44,47,51,66,69H,6-9,20-27,29-30,32-35H2,1-5H3,(H,59,71)(H,62,70)(H,61,63,64,65)/t43-,44-,47+,51-/m1/s1
InChIKey
RTFQFPZKDYMMMJ-RIAKQDHQSA-N
Chemical Structure
2D Structure
2D structure of PROTAC SGK3 degrader-1
CAS: 2381320-35-8
CID: 139035049
Formula: C57H73FN10O11S2
MW: 1157.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1157.4
XLogP36
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count19
Rotatable Bond Count29
Exact Mass1156.48857369
Monoisotopic Mass1156.48857369
Topological Polar Surface Area298 Ų
Heavy Atom Count81
Formal Charge0
Complexity2050
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes