Products for Research Use Only
RegisterLogin

PROTAC SGK3 degrader-2

CAT: 0931-T212560-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T212560-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2381196-78-5
Target
PROTACs, SGK
Related Pathways
Metabolism, PROTAC
Bioactivity
PROTACSGK3degrader-2 is the cis-diastereomer of PROTACSGK3degrader-1 (SGK3-PROTAC1), featuring a cis-hydroxy group in its VH032 section, which prevents binding to the VHL E3 ligase. This compound inhibits SGK3, SGK1, and S6K1 with IC50 values of 0.6 μM, 1.4 μM, and 1.7 μM, respectively, but does not degrade SGK3. It serves as a control compound for studying the specific degradation effects mediated by SGK3-PROTAC1.
Smiles
O(C[C@H]1CN(CCCCCCOCCOCCOCC(N[C@H](C(=O)N2[C@H](C(NCC3=CC=C(C=C3)C4=C(C)N=CS4)=O)C[C@H](O)C2)C(C)(C)C)=O)CCO1)C=5N=C(N=C6C5C=NN6)C7=CC=C(NS(=O)(=O)C8=C(F)C=CC(C)=C8)C=C7
Molecular Formula
C57H73FN10O11S2
Molecular Weight
1157.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2S,4S)-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
CAS Number2381196-78-5
PubChem CID172472596
IUPAC Name(2S,4S)-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+/m0/s1
InChIKey
RTFQFPZKDYMMMJ-RLHUTWFYSA-N
Chemical Structure
2D Structure
2D structure of (2S,4S)-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
CAS: 2381196-78-5
CID: 172472596
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

Related Products

CatalogName
T13847-01PROTAC SGK3 degrader-1
T211019-01PROTAC HDAC degrader-2
T210290-01PROTAC ALK degrader-2
T89589-01PROTAC PARP1 degrader-2
T18605-01PROTAC ERα Degrader-2
T81376-01PROTAC SMARCA2 degrader-2
T13834-01PROTAC BRD4 Degrader-2
T18609-01PROTAC ERRα Degrader-2
T208225-01PROTAC eDHFR Degrader-2
T201111-01PROTAC HDAC8 Degrader-2

Alternative Products

CatalogName
GTR19264747-01PROTAC SGK3 degrader-2
HY-125878-01PROTAC SGK3 degrader-1
A23922-50PROTAC SGK3 degrader-1 (SGK3-PROTAC1) 50mg
A23922-1PROTAC SGK3 degrader-1 (SGK3-PROTAC1) 1mg
A23922-5PROTAC SGK3 degrader-1 (SGK3-PROTAC1) 5mg
A23922-10PROTAC SGK3 degrader-1 (SGK3-PROTAC1) 10mg
HY-178803PROTAC BCL6 Degrader-2
HY-169072PROTAC MLKL Degrader-2
HY-163938APROTAC erf3a Degrader-2
HY-158036PROTAC STING Degrader-2

Popular Products