Products for Research Use Only

HPG1860

CAT: 0013-GTR19239541-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239541-03Size:100 mg
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Description
HPG1860 is a potent FXR agonist with an EC50 of 18 nM in cellular reporter assays. In a mouse NASH model, it significantly lowers serum ALT and cholesterol, while reducing hepatic steatosis, inflammation, and fibrosis, demonstrating therapeutic potential for metabolic liver disease research.
CAS Number
2226133-29-3
Field of Research
Metabolism Research
Smiles
C (C=1C (=NOC1C2CC2) C3=C (Cl) C=CC=C3Cl) N4C[C@@H] (C) N (CC4) C5=NC=6C (S5) =CC (C (O) =O) =CC6OC
Molecular Formula
C27H26Cl2N4O4S
Molecular Weight
573.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 169422740
CAS Number2226133-29-3
PubChem CID169422740
IUPAC Name2-[(2R)-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methyl]-2-methylpiperazin-1-yl]-4-methoxy-1,3-benzothiazole-6-carboxylic acid
Molecular FormulaC27H26Cl2N4O4S
Molecular Weight573.5
XLogP3.7
Topological Polar Surface Area120
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count38
Formal Charge0
Complexity848
SMILES
C[C@@H]1CN(CCN1C2=NC3=C(C=C(C=C3S2)C(=O)O)OC)CC4=C(ON=C4C5=C(C=CC=C5Cl)Cl)C6CC6
InChI
InChI=1S/C27H26Cl2N4O4S/c1-14-12-32(8-9-33(14)27-30-24-20(36-2)10-16(26(34)35)11-21(24)38-27)13-17-23(31-37-25(17)15-6-7-15)22-18(28)4-3-5-19(22)29/h3-5,10-11,14-15H,6-9,12-13H2,1-2H3,(H,34,35)/t14-/m1/s1
InChIKey
JPEHHEUXHNQIIX-CQSZACIVSA-N
Chemical Structure
2D Structure
2D structure of CID 169422740
CAS: 2226133-29-3
CID: 169422740
Formula: C27H26Cl2N4O4S
MW: 573.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight573.5
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass572.1051819
Monoisotopic Mass572.1051819
Topological Polar Surface Area120 Ų
Heavy Atom Count38
Formal Charge0
Complexity848
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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