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TRβ agonist 2

CAT: 0013-GTR19187078-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19187078-02Size:50 mg
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Description
TRβ agonist 2 is a potent and selective thyromimetic compound that targets the TRβ receptor. It has been shown to reduce hepatic lipid accumulation and promote lipolysis in vitro using HepG2 cells, supporting its research utility in studying metabolic disorders like NAFLD and dyslipidemia.
CAS Number
2411099-30-2
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
N (C (C) =O) C1=C (C (C) C) C=C (CC2=C (C) C=C (OCC (O) =O) C=C2C) C=C1
Molecular Formula
C22H27NO4
Molecular Weight
369.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

TR|A agonist 2
CAS Number2411099-30-2
PubChem CID155286423
IUPAC Name2-[4-[(4-acetamido-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetic acid
Molecular FormulaC22H27NO4
Molecular Weight369.5
XLogP4.4
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity495
SMILES
CC1=CC(=CC(=C1CC2=CC(=C(C=C2)NC(=O)C)C(C)C)C)OCC(=O)O
InChI
InChI=1S/C22H27NO4/c1-13(2)19-10-17(6-7-21(19)23-16(5)24)11-20-14(3)8-18(9-15(20)4)27-12-22(25)26/h6-10,13H,11-12H2,1-5H3,(H,23,24)(H,25,26)
InChIKey
GZHDROJXCQEXMK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of TR|A agonist 2
CAS: 2411099-30-2
CID: 155286423
Formula: C22H27NO4
MW: 369.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight369.5
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass369.19400834
Monoisotopic Mass369.19400834
Topological Polar Surface Area75.6 Ų
Heavy Atom Count27
Formal Charge0
Complexity495
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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