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MGL-3196

CAT: 0013-GTR19160788-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19160788-07Size:100 mg
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Description
MGL-3196 (VIA-3196, Resmetirom) is a potent and highly selective agonist of THR-β (Thyroid Hormone Receptor β) with EC50 of 0.21 uM; shows 28-fold selectivity for THR-β over THR-α in a functional assay; exhibits an excellent safety profile and orally bioactive.Steatohepatitis, Phase 2 Clinical (In Vitro) :Resmetirom (MGL-3196) is 28-fold selective for THR-β (EC50=0.21 μM) over THR-α (EC50=3.74 μM) in a functional assay. Resmetirom (MGL-3196) shows an IC20 of roughly 30 μM for blockage of the hERG channel. The IC50 for CYP3A4/5 and for CYP2C19 is >50 μM, and there is only weak inhibition (roughly 22 μM) of CYP2C9. (In Vivo) :Resmetirom (MGL-3196) exhibits good exposures and reasonable oral bioavailability in rats. The volume of distribution and clearance are both low. Dose proportional increases in exposure are observed for a suspension of Resmetirom (MGL-3196) given orally to DIO mice.In animals treated with Resmetirom (MGL-3196) there is a reduction in cholesterol and in liver size, which is secondary to reduction of liver TG. There is no effect on bone mineral density (BMD) or heart or kidney size in Resmetirom (MGL-3196) treated animals.
CAS Number
920509-32-6
Product Name Alternative
Resmetirom | VIA-3196 | MGL3196 | MGL 3196 | VIA3196 | VIA 3196
Purity
>98% (HPLC)
Solubility
DMSO: ≥ 31 mg/mL
Smiles
N#CC1=NN (C2=CC (Cl) =C (OC (C=C3C (C) C) =NNC3=O) C (Cl) =C2) C (NC1=O) =O
Molecular Formula
C17H12Cl2N6O4
Molecular Weight
435.221
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
1,2,4-Triazine-6-carbonitrile, 2-[3,5-dichloro-4-[[1,6-dihydro-5- (1-methylethyl) -6-oxo-3-pyridazinyl]oxy]phenyl]-2,3,4,5-tetrahydro-3,5-dioxo-

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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Alternative Products

CatalogName
MBS3606598-01MGL-3196
A13248-50MGL-3196 50mg
A13248-5MGL-3196 5mg
C12104-100mgResmetirom (MGL-3196)
A13248-10MGL-3196 10mg
A13248-2MGL-3196 2mg
A13248-1MGL-3196 1mg
A13248-500MGL-3196 500mg
A13248-100MGL-3196 100mg
A13248-25MGL-3196 25mg

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