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IVA-337

CAT: 1410-M16646-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M16646-02Size:2 mg
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Description
IVA-337 (Lanifibranor, IVA337) ) is a potent, pan PPAR agonist with EC50 of 0.92 uM, 0.53 uM and 0.18 uM for human PPARα, PPARδ and PPARγ respectively.
CAS Number
927961-18-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
434.909
Molecular Formula
C19H15ClN2O4S2
Notes
Research use only, not for human use.
Receptor
PPAR

Chemical Information

Lanifibranor

Lanifibranor is under investigation in clinical trial NCT03008070 (Phase 2b Study in NASH to Assess IVA337).

CAS Number927961-18-0
PubChem CID68677842
IUPAC Name4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloroindol-2-yl]butanoic acid
Molecular FormulaC19H15ClN2O4S2
Molecular Weight434.9
XLogP4.5
Topological Polar Surface Area126
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity686
SMILES
C1=CC2=C(C=C1S(=O)(=O)N3C4=C(C=C(C=C4)Cl)C=C3CCCC(=O)O)SC=N2
InChI
InChI=1S/C19H15ClN2O4S2/c20-13-4-7-17-12(8-13)9-14(2-1-3-19(23)24)22(17)28(25,26)15-5-6-16-18(10-15)27-11-21-16/h4-11H,1-3H2,(H,23,24)
InChIKey
OQDQIFQRNZIEEJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lanifibranor
CAS: 927961-18-0
CID: 68677842
Formula: C19H15ClN2O4S2
MW: 434.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.9
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass434.0161770
Monoisotopic Mass434.0161770
Topological Polar Surface Area126 Ų
Heavy Atom Count28
Formal Charge0
Complexity686
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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