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LY3522348

CAT: 0957-E1885-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-E1885-01Size:5 mg
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Description
LY3522348 is a highly selective oral dual inhibitor of the human ketohexokinase isoforms C and A, with IC50 values of 20nM for hKHK-C and 24nM for hKHK-A. It shows a significant pharmacodynamic effect in a mouse model of fructose metabolism.
CAS Number
2568608-48-8
Target
Others
Activity
Others
Molecular Formula
C18H22F3N7O

Chemical Information

Khk-IN-3
CAS Number2568608-48-8
PubChem CID155385439
IUPAC Name2-[4-[2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-1-piperazin-1-ylethanone
Molecular FormulaC18H22F3N7O
Molecular Weight409.4
XLogP1.1
Topological Polar Surface Area79.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity586
SMILES
C[C@H]1CCN1C2=NC(=CC(=N2)C(F)(F)F)C3=CN(N=C3)CC(=O)N4CCNCC4
InChI
InChI=1S/C18H22F3N7O/c1-12-2-5-28(12)17-24-14(8-15(25-17)18(19,20)21)13-9-23-27(10-13)11-16(29)26-6-3-22-4-7-26/h8-10,12,22H,2-7,11H2,1H3/t12-/m0/s1
InChIKey
HAUDFIFEGDNKJX-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of Khk-IN-3
CAS: 2568608-48-8
CID: 155385439
Formula: C18H22F3N7O
MW: 409.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.4
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass409.18379284
Monoisotopic Mass409.18379284
Topological Polar Surface Area79.2 Ų
Heavy Atom Count29
Formal Charge0
Complexity586
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
C01930-5mgLY3522348

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