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SGK1-IN-6

CAT: 0931-T205289-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T205289-01Size:10 mg
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CAS Number
3046378-98-4
Target
SGK
Related Pathways
Metabolism
Bioactivity
SGK1-IN-6 (compound 12f) is an SGK1 inhibitor with an IC50 value of 0.39 μM. In PC3 xenograft models using BALB/c nude mice, SGK1-IN-6 effectively hinders tumor growth without causing any observable toxicity.
Smiles
O=C(NC1=CC=C(OC)C=C1)C2=CC=3C(=NC(=CC3C(F)(F)F)NC4=CC=C(C=C4OC)N5CCNCC5)C=C2OC
Molecular Formula
C30H30F3N5O4
Molecular Weight
581.586
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Sgk1-IN-6
CAS Number3046378-98-4
PubChem CID173640858
IUPAC Name7-methoxy-N-(4-methoxyphenyl)-2-(2-methoxy-4-piperazin-1-ylanilino)-4-(trifluoromethyl)quinoline-6-carboxamide
Molecular FormulaC30H30F3N5O4
Molecular Weight581.6
XLogP5.2
Topological Polar Surface Area97
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Heavy Atom Count42
Formal Charge0
Complexity870
SMILES
COC1=CC=C(C=C1)NC(=O)C2=C(C=C3C(=C2)C(=CC(=N3)NC4=C(C=C(C=C4)N5CCNCC5)OC)C(F)(F)F)OC
InChI
InChI=1S/C30H30F3N5O4/c1-40-20-7-4-18(5-8-20)35-29(39)22-15-21-23(30(31,32)33)16-28(37-25(21)17-26(22)41-2)36-24-9-6-19(14-27(24)42-3)38-12-10-34-11-13-38/h4-9,14-17,34H,10-13H2,1-3H3,(H,35,39)(H,36,37)
InChIKey
LUUSQGGJIVYGID-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sgk1-IN-6
CAS: 3046378-98-4
CID: 173640858
Formula: C30H30F3N5O4
MW: 581.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight581.6
XLogP35.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Exact Mass581.22498894
Monoisotopic Mass581.22498894
Topological Polar Surface Area97 Ų
Heavy Atom Count42
Formal Charge0
Complexity870
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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