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PROTAC SGK3 degrader-1

CAT: 0957-S9672-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-S9672-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2381320-35-8
Synonyms
SGK3-PROTAC1
Target
SGK
Applications
Metabolism
Smiles
CC1=CC=C (F) C (=C1) [S] (=O) (=O) NC2=CC=C (C=C2) C3=NC4=C (C=N[NH]4) C (=N3) OCC5CN (CCCCCCOCCOCCOCC (=O) NC (C (=O) N6CC (O) CC6C (=O) NCC7=CC=C (C=C7) C8=C (C) N=CS8) C (C) (C) C) CCO5
Molecular Formula
C57H73FN10O11S2
Additionnal Information
PROTAC SGK3 degrader-1 (SGK3-PROTAC1) is a PROTAC conjugate of the 308-R SGK inhibitor with the VH032 VHL binding ligand, targeting SGK3 (Serum/Glucocorticoid Regulated Kinase Family Member 3) for degradation.
Storage Conditions
3 years -20°C powder

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...
View on PubChemRaw 3D data
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

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HY-125878-01PROTAC SGK3 degrader-1
A23922-5PROTAC SGK3 degrader-1 (SGK3-PROTAC1) 5mg
A23922-50PROTAC SGK3 degrader-1 (SGK3-PROTAC1) 50mg
A23922-1PROTAC SGK3 degrader-1 (SGK3-PROTAC1) 1mg
T212560-01PROTAC SGK3 degrader-2
A23922-10PROTAC SGK3 degrader-1 (SGK3-PROTAC1) 10mg
HY-178034PROTAC OSBP Degrader-1
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