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LBA-3

CAT: 0931-T86803-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T86803-02Size:50 mg
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CAS Number
2918263-09-7
Target
Sodium Channel
Related Pathways
Membrane transporter/Ion channel
Bioactivity
LBA-3, a selective and orally active inhibitor of the sodium-coupled citrate transporter SLC13A5, exhibits an IC50 of 67 nM. This compound effectively reduces triglyceride and total cholesterol levels in both oleic and palmitic acid (OPA) -stimulated AML12 cells and PCN-stimulated primary mouse hepatocytes, as well as in mouse models, without showing detectable toxicity. Additionally, LBA-3 is permeable to the blood-brain barrier [1].
Smiles
C(CC(CC(O)=O)(C(O)=O)O)C1=CC=C(C=C1)C2=CC=CC=C2
Molecular Formula
C18H18O5
Molecular Weight
314.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Hydroxy-2-[2-(4-phenylphenyl)ethyl]butanedioic acid
CAS Number2918263-09-7
PubChem CID171391405
IUPAC Name2-hydroxy-2-[2-(4-phenylphenyl)ethyl]butanedioic acid
Molecular FormulaC18H18O5
Molecular Weight314.3
XLogP2.4
Topological Polar Surface Area94.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count23
Formal Charge0
Complexity408
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)CCC(CC(=O)O)(C(=O)O)O
InChI
InChI=1S/C18H18O5/c19-16(20)12-18(23,17(21)22)11-10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,23H,10-12H2,(H,19,20)(H,21,22)
InChIKey
PQWDAACWHGFWSH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxy-2-[2-(4-phenylphenyl)ethyl]butanedioic acid
CAS: 2918263-09-7
CID: 171391405
Formula: C18H18O5
MW: 314.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.3
XLogP32.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass314.11542367
Monoisotopic Mass314.11542367
Topological Polar Surface Area94.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity408
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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