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Resmetirom (MGL-3196) - 98%, high purity , Thyroid hormone receptor beta-1 agonist, CAS No.920509-32-6, Thyroid hormone receptor beta-1 agonist

Moligand™
≥98%

CAS#: 920509-32-6
Formula: C₁₇H₁₂Cl₂N₆O₄
Molecular Weight: 435.22
PubChem CID: 15981237

Item Number

R413574

Grouped product items
SKU	Size	Availability	Price
R413574-5mg	5mg	In stock	$107.90
R413574-25mg	25mg	In stock	$486.90
R413574-100mg	100mg	In stock	$741.90

THR Agonists

View related series

Thyroid hormone receptor-α Agonist Thyroid hormone receptor-β Agonist

Basic Description

Synonyms	Resmetirom\|MGL-3196\|920509-32-6\|VIA-3196\|2-(3,5-dichloro-4-((5-isopropyl-6-oxo-1,6-dihydropyridazin-3-yl)oxy)phenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile\|MGL 3196\|Resmetirom [USAN]\|MGL3196\|RE0V0T1ES0\|CHEMBL3261331\|1,2,4-Triazine-6-ca
Specifications & Purity	Moligand™, ≥98%
Biochemical and Physiological Mechanisms	Resmetirom (MGL-3196, VIA-3196) is a liver-directed, orally active, selective thyroid hormone receptor β(THR-β) agonist with an EC50 of 0.21 μM,shows 28-fold selective for THR-β over THR-α in a functional assay.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads
Grade	Moligand™
Action Type	AGONIST
Mechanism of action	Thyroid hormone receptor beta-1 agonist
Product Description	Information Resmetirom (MGL-3196) Resmetirom (MGL-3196, VIA-3196) is a liver-directed, orally active, selective thyroid hormone receptor β(THR-β) agonist with an EC50 of 0.21 μM,shows 28-fold selective for THR-β over THR-α in a functional assay. Targets THR-β (Cell-free assay) 0.21μM(EC50)

Product Properties

ALogP	3.021
HBD Count	2
Rotatable Bond	4

Associated Targets

CYP2C19 Tchem Cytochrome P450 2C19 0 Activities

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CYP3A4 Tclin Cytochrome P450 3A4 0 Activities

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BRD4 Tchem Bromodomain-containing protein 4 0 Activities

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CYP2C9 Tchem Cytochrome P450 2C9 0 Activities

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CDK2 Tchem Cyclin-dependent kinase 2 0 Activities

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CYP3A5 Tclin Cytochrome P450 3A5 0 Activities

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FGFR3 Tclin Fibroblast growth factor receptor 3 0 Activities

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CSNK1D Tchem Casein kinase I isoform delta 0 Activities

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TRIM24 Tchem Transcription intermediary factor 1-alpha 0 Activities

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THRA Tclin Thyroid hormone receptor alpha 0 Activities

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BRPF1 Tchem Peregrin 0 Activities

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AURKA Tchem Aurora kinase A 0 Activities

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ABL1 Tclin Tyrosine-protein kinase ABL1 0 Activities

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THRB Tclin Thyroid hormone receptor beta 0 Activities

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GSK3B Tclin Glycogen synthase kinase-3 beta 0 Activities

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KCNH2 Tclin Potassium voltage-gated channel subfamily H member 2 0 Activities

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MAPK1 Tchem Mitogen-activated protein kinase 1 0 Activities

Discover Target: MAPK1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Names and Identifiers

IUPAC Name	2-[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
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)
InChi Key	FDBYIYFVSAHJLY-UHFFFAOYSA-N
Canonical SMILES	CC(C)C1=CC(=NNC1=O)OC2=C(C=C(C=C2Cl)N3C(=O)NC(=O)C(=N3)C#N)Cl
Isomeric SMILES	CC(C)C1=CC(=NNC1=O)OC2=C(C=C(C=C2Cl)N3C(=O)NC(=O)C(=N3)C#N)Cl
PubChem CID	15981237
Molecular Weight	435.22

Database links

PubChem CID	15981237
ChEMBL Ligand	CHEMBL3261331
BindingDB Ligand	50012905
DrugBank Ligand	DB12914
CAS Registry No.	920509-32-6

Certificates

Certificate of Analysis(COA)

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3 results found

Lot Number	Certificate Type	Date	Item
H2218537	Certificate of Analysis	Jun 15, 2022	R413574
H2218538	Certificate of Analysis	Jun 15, 2022	R413574
H2218539	Certificate of Analysis	Jun 15, 2022	R413574

Chemical and Physical Properties

Solubility	Solubility (25°C) In vitro DMSO: 87 mg/mL (199.89 mM); Water: Insoluble; Ethanol: Insoluble;
DMSO(mg / mL) Max Solubility	87
DMSO(mM) Max Solubility	199.898901704885
Water(mg / mL) Max Solubility	＜1

Safety and Hazards(GHS)

Pictogram(s)	GHS07
Signal	Warning
Hazard Statements	H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation H302:Harmful if swallowed
Precautionary Statements	P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing.

References

1. Kelly MJ, Pietranico-Cole S, Larigan JD, Haynes NE, Reynolds CH, Scott N, Vermeulen J, Dvorozniak M, Conde-Knape K, Huang KS et al.. (2014) Discovery of 2-[3,5-dichloro-4-(5-isopropyl-6-oxo-1,6-dihydropyridazin-3-yloxy)phenyl]-3,5-dioxo-2,3,4,5-tetrahydro[1,2,4]triazine-6-carbonitrile (MGL-3196), a Highly Selective Thyroid Hormone Receptor β agonist in clinical trials for the treatment of dyslipidemia.. J Med Chem, 57 (10): (3912-23). [PMID:24712661]

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