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BAR-2227

CAT: 0013-GTR19238703-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19238703-01Size:25 mg
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Description
BAR-2227 (compound 3a) is a dual-function small molecule acting as a Farnesoid X Receptor (FXR) agonist and Leukemia Inhibitory Factor Receptor (LIFR) inhibitor. It is a research tool used to investigate mechanisms and therapeutic potential in liver fibrosis and inflammation models, both in vitro and in vivo.
CAS Number
2409154-23-8
Field of Research
Metabolism Research
Smiles
O=C (O) C=1C=CC=C (C1) C=2C=CC (OCC=3C (=NOC3C) C=4C (Cl) =CC=CC4Cl) =CC2
Molecular Formula
C24H17Cl2NO4
Molecular Weight
454.30
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-[4-[[3-(2,6-Dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]phenyl]benzoic acid
CAS Number2409154-23-8
PubChem CID156756338
IUPAC Name3-[4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]phenyl]benzoic acid
Molecular FormulaC24H17Cl2NO4
Molecular Weight454.3
XLogP6.3
Topological Polar Surface Area72.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity590
SMILES
CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)COC3=CC=C(C=C3)C4=CC(=CC=C4)C(=O)O
InChI
InChI=1S/C24H17Cl2NO4/c1-14-19(23(27-31-14)22-20(25)6-3-7-21(22)26)13-30-18-10-8-15(9-11-18)16-4-2-5-17(12-16)24(28)29/h2-12H,13H2,1H3,(H,28,29)
InChIKey
FVJFATSNWFWEGK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[4-[[3-(2,6-Dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]phenyl]benzoic acid
CAS: 2409154-23-8
CID: 156756338
Formula: C24H17Cl2NO4
MW: 454.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.3
XLogP36.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass453.0534634
Monoisotopic Mass453.0534634
Topological Polar Surface Area72.6 Ų
Heavy Atom Count31
Formal Charge0
Complexity590
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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