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Resmetirom

CAT: 0013-GTR19172097-05Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19172097-05Size:10 mg
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Description
Resmetirom (MGL-3196) is an orally active, highly selective thyroid hormone receptor-beta (THR-β) agonist with an EC50 of 0.21 μM. It is a research compound used in studies of non-alcoholic steatohepatitis (NASH), with applications in both in vitro mechanistic studies and in vivo models of liver disease.
CAS Number
920509-32-6
Product Name Alternative
Inhibitor, MGL3196, MGL-3196, MGL 3196, inhibit, VIA 3196, VIA3196, VIA-3196, Resmetirom, THR-β, THR, Thyroidhormonereceptor, Thyroidhormonereceptor (THR), Thyroid hormone receptor (THR), Thyroid Hormone Receptor, Thyroid hormone receptor
Field of Research
Metabolism Research
Purity
99.05% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (7.58 mM) ; DMSO:101 mg/mL (232.07 mM)
Smiles
CC (C) c1cc (Oc2c (Cl) cc (cc2Cl) -n2nc (C#N) c (=O) [nH]c2=O) n[nH]c1=O
Molecular Formula
C17H12Cl2N6O4
Molecular Weight
435.22
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Resmetirom

Resmetirom is a thyroid hormone receptor-beta (THR-beta) agonist. On March 14, 2024, it was approved by the FDA as the first treatment of liver fibrosis due to noncirrhotic non-alcoholic steatohepatitis (NASH), which is a form of non-alcoholic fatty liver disease (NAFLD). Thyroid hormones directly regulate lipid metabolism in the liver; thus, impaired thyroid function, such as low serum thyroid hormone levels, is often observed in NAFLD. Resmetirom works to reduce liver fat by stimulating fatty acid degradation and oxidation.

CAS Number920509-32-6
PubChem CID15981237
IUPAC Name2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile
Molecular FormulaC17H12Cl2N6O4
Molecular Weight435.2
XLogP2.7
Topological Polar Surface Area136
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity878
SMILES
CC(C)C1=CC(=NNC1=O)OC2=C(C=C(C=C2Cl)N3C(=O)NC(=O)C(=N3)C#N)Cl
InChI
InChI=1S/C17H12Cl2N6O4/c1-7(2)9-5-13(22-23-15(9)26)29-14-10(18)3-8(4-11(14)19)25-17(28)21-16(27)12(6-20)24-25/h3-5,7H,1-2H3,(H,23,26)(H,21,27,28)
InChIKey
FDBYIYFVSAHJLY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Resmetirom
CAS: 920509-32-6
CID: 15981237
Formula: C17H12Cl2N6O4
MW: 435.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight435.2
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass434.0297083
Monoisotopic Mass434.0297083
Topological Polar Surface Area136 Ų
Heavy Atom Count29
Formal Charge0
Complexity878
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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