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LZ-007

CAT: 0931-T203062-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T203062-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2920000-23-1
Target
FXR
Related Pathways
Metabolism
Bioactivity
LZ-007 is an agonist of the Farnesoid X receptor (FXR), with an EC50 of 51 nM as determined by TR-FRET assay, and an EC50 of 76 nM in HepG2 cells. It exhibits favorable pharmacokinetic properties in SD rats and can improve metabolic dysfunction-associated steatohepatitis induced by high-fat diets and CCl4 in mice.
Smiles
O=C(O)C1=CC=C(OCC2CCN(CC=3C(=NOC3C(C)C)C=4C=CC=CC4OC(F)(F)F)CC2)C=C1
Molecular Formula
C27H29F3N2O5
Molecular Weight
518.53
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-[[1-[[5-Propan-2-yl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methyl]piperidin-4-yl]methoxy]benzoic acid
CAS Number2920000-23-1
PubChem CID175359111
IUPAC Name4-[[1-[[5-propan-2-yl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methyl]piperidin-4-yl]methoxy]benzoic acid
Molecular FormulaC27H29F3N2O5
Molecular Weight518.5
XLogP3.9
Topological Polar Surface Area85
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count37
Formal Charge0
Complexity723
SMILES
CC(C)C1=C(C(=NO1)C2=CC=CC=C2OC(F)(F)F)CN3CCC(CC3)COC4=CC=C(C=C4)C(=O)O
InChI
InChI=1S/C27H29F3N2O5/c1-17(2)25-22(24(31-37-25)21-5-3-4-6-23(21)36-27(28,29)30)15-32-13-11-18(12-14-32)16-35-20-9-7-19(8-10-20)26(33)34/h3-10,17-18H,11-16H2,1-2H3,(H,33,34)
InChIKey
LLXJYUIZLAWRAS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[[1-[[5-Propan-2-yl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methyl]piperidin-4-yl]methoxy]benzoic acid
CAS: 2920000-23-1
CID: 175359111
Formula: C27H29F3N2O5
MW: 518.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight518.5
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass518.20285652
Monoisotopic Mass518.20285652
Topological Polar Surface Area85 Ų
Heavy Atom Count37
Formal Charge0
Complexity723
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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