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Cilofexor

CAT: 0931-T7436-03Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T7436-03Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1418274-28-8
Target
FXR, Autophagy
Related Pathways
Autophagy, Metabolism
Purity
0.9986
Bioactivity
Cilofexor inhibits binding of a synthetic peptide, Cilofexor is a farnesoid X receptor (FXR) agonist.
Smiles
OC(=O)c1ccnc(c1)N1CC(O)(C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl
Molecular Formula
C28H22Cl3N3O5
Molecular Weight
586.85
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cilofexor

Cilofexor is under investigation in clinical trial NCT02943447 (Safety, Tolerability, and Efficacy of Cilofexor in Adults With Primary Biliary Cholangitis Without Cirrhosis).

CAS Number1418274-28-8
PubChem CID71228883
IUPAC Name2-[3-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxyazetidin-1-yl]pyridine-4-carboxylic acid
Molecular FormulaC28H22Cl3N3O5
Molecular Weight586.8
XLogP5.3
Topological Polar Surface Area109
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count39
Formal Charge0
Complexity867
SMILES
C1CC1C2=C(C(=NO2)C3=C(C=CC=C3Cl)Cl)COC4=CC(=C(C=C4)C5(CN(C5)C6=NC=CC(=C6)C(=O)O)O)Cl
InChI
InChI=1S/C28H22Cl3N3O5/c29-20-2-1-3-21(30)24(20)25-18(26(39-33-25)15-4-5-15)12-38-17-6-7-19(22(31)11-17)28(37)13-34(14-28)23-10-16(27(35)36)8-9-32-23/h1-3,6-11,15,37H,4-5,12-14H2,(H,35,36)
InChIKey
KZSKGLFYQAYZCO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cilofexor
CAS: 1418274-28-8
CID: 71228883
Formula: C28H22Cl3N3O5
MW: 586.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight586.8
XLogP35.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass585.062504
Monoisotopic Mass585.062504
Topological Polar Surface Area109 Ų
Heavy Atom Count39
Formal Charge0
Complexity867
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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CatalogName
BA3598-1Cilofexor
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A13143-25Cilofexor 25mg
HY-109083ACilofexor (tromethamine)
A13143-500Cilofexor 500mg
A13143-100Cilofexor 100mg
A13143-10Cilofexor 10mg

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