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PX20606

CAT: 0931-T88353-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T88353-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1268245-19-7
Target
FXR
Related Pathways
Metabolism
Bioactivity
PX20606 is an orally active farnesoid X receptor (FXR) agonist, demonstrating EC50 values of 220 nM (mFXR) and 50 nM (hFXR) in Gal4-FXR assays. It induces the expression of the tumor suppressor gene NDRG2 and inhibits tumor growth and metastasis in a mouse HCC model. Additionally, PX20606 exhibits hepatoprotective properties.
Smiles
O=C(O)C1=CC=C(C=C1)C2CC2C3=CC=C(OCC=4C(=NOC4C5CC5)C=6C(Cl)=CC=CC6Cl)C=C3Cl
Molecular Formula
C29H22Cl3NO4
Molecular Weight
554.85
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-(2-(2-Chloro-4-((5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl)methoxy)phenyl)cyclopropyl)benzoic acid
CAS Number1268245-19-7
PubChem CID50943003
IUPAC Name4-[2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]benzoic acid
Molecular FormulaC29H22Cl3NO4
Molecular Weight554.8
XLogP7.6
Topological Polar Surface Area72.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count37
Formal Charge0
Complexity796
SMILES
C1CC1C2=C(C(=NO2)C3=C(C=CC=C3Cl)Cl)COC4=CC(=C(C=C4)C5CC5C6=CC=C(C=C6)C(=O)O)Cl
InChI
InChI=1S/C29H22Cl3NO4/c30-23-2-1-3-24(31)26(23)27-22(28(37-33-27)16-6-7-16)14-36-18-10-11-19(25(32)12-18)21-13-20(21)15-4-8-17(9-5-15)29(34)35/h1-5,8-12,16,20-21H,6-7,13-14H2,(H,34,35)
InChIKey
XBUXXJUEBFDQHD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2-(2-Chloro-4-((5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl)methoxy)phenyl)cyclopropyl)benzoic acid
CAS: 1268245-19-7
CID: 50943003
Formula: C29H22Cl3NO4
MW: 554.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight554.8
XLogP37.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass553.061441
Monoisotopic Mass553.061441
Topological Polar Surface Area72.6 Ų
Heavy Atom Count37
Formal Charge0
Complexity796
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-100443PX20606
HY-100443A-01Trans-PX20606
HY-100443B-01(R, R) -PX20606
MBS3841972-01PX20606 trans-isomer
MBS5753747PX20606 trans racemate
TAC24488-01(-) -PX20606 trans isomer
MBS5753748-01(-)-PX20606 trans isomer
A16997-10PX20606 trans-isomer 10mg
A16997-2PX20606 trans-isomer 2mg
A16997-25PX20606 trans-isomer 25mg

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