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SGK1-IN-1

CAT: 0931-T12890Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T12890Size:1 mg
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CAS Number
1279829-87-6
Target
SGK
Related Pathways
Metabolism
Bioactivity
SGK1-IN-1 (compound 14n) is a highly potent SGK1 (Serum/Glucocorticoid Regulated Kinase 1) inhibitor, with inhibitory activities of 41 nm, 128 nm, and 310 nm against hSGK1/2/3 at 500 μM ATP, respectively, and can be used for studying SGK1-related cancers and metabolic diseases.
Smiles
O=S(=O)(NC=1C=CC(=CC1)C2=NC=3NN=C(N)C3N=C2)C4=CC(Cl)=CC=C4F
Molecular Formula
C17H12ClFN6O2S
Molecular Weight
418.83
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Sgk1-IN-1
CAS Number1279829-87-6
PubChem CID71506845
IUPAC NameN-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-5-chloro-2-fluorobenzenesulfonamide
Molecular FormulaC17H12ClFN6O2S
Molecular Weight418.8
XLogP2.4
Topological Polar Surface Area135
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity644
SMILES
C1=CC(=CC=C1C2=NC3=NNC(=C3N=C2)N)NS(=O)(=O)C4=C(C=CC(=C4)Cl)F
InChI
InChI=1S/C17H12ClFN6O2S/c18-10-3-6-12(19)14(7-10)28(26,27)25-11-4-1-9(2-5-11)13-8-21-15-16(20)23-24-17(15)22-13/h1-8,25H,(H3,20,22,23,24)
InChIKey
DDKHTWASHUKHLD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sgk1-IN-1
CAS: 1279829-87-6
CID: 71506845
Formula: C17H12ClFN6O2S
MW: 418.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight418.8
XLogP32.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass418.0415007
Monoisotopic Mass418.0415007
Topological Polar Surface Area135 Ų
Heavy Atom Count28
Formal Charge0
Complexity644
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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