Resmetirom (MGL-3196) - Moligand™, 10mM in DMSO , Thyroid hormone receptor beta-1 agonist, CAS No.920509-32-6, Thyroid hormone receptor beta-1 agonist

CAS: 920509-32-6 Cat. No.: R426930 Peso molecular: 435.22 Número EC: 187-988-8 PubChem CID: 15981237
Disponible para pedir
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
Synonyms
(S)-(-)-SEGPHOS(regR) | Resmetirom | MGL-3196 | compound 53 [PMID: 24712661] | SY289460 | WHO 10850 | VLB50932 | 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 | s6663
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1ml
R426930-1ml
2

72,90US$

79,90US$
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Why this grade

Moligand™, 10mM in DMSO Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

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)

Specifications

Sinónimos
(S)-(-)-SEGPHOS(regR) | Resmetirom | MGL-3196 | compound 53 [PMID: 24712661] | SY289460 | WHO 10850 | VLB50932 | 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 | s6663
Especificaciones y pureza
Moligand™, 10mM in DMSO
Mecanismos bioquímicos y fisiológicos
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.
Condiciones de almacenamiento de almacenamiento
Store at -80°C
Enviado en
Dry ice packs + Cold packs
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Grado
Moligand™
Tipo de acción
AGONIST
Mecanismo de acción
Thyroid hormone receptor beta-1 agonist
Propiedades del producto
ALogP3.021
Recuento HBD2
Enlace rotable4
Nombres e identificadores
Sonrisas canónicasCC(C)C1=CC(=NNC1=O)OC2=C(C=C(C=C2Cl)N3C(=O)NC(=O)C(=N3)C#N)Cl
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
InChIKeyFDBYIYFVSAHJLY-UHFFFAOYSA-N
INCHI1S/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)
Isómeros 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
Peso molecular 435.22

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClaseOrganooxygen compounds
SubclassEthers
Intermediate Tree Nodes Not available
Direct ParentDiarylethers
Alternative Parents Phenoxy compounds  Phenol ethers  Dichlorobenzenes  Pyridazinones  Aryl chlorides  1,2,4-triazines  Heteroaromatic compounds  Lactams  Nitriles  Azacyclic compounds  Organochlorides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Diaryl ether - Phenoxy compound - 1,3-dichlorobenzene - Phenol ether - Chlorobenzene - Halobenzene - Pyridazinone - 1,2,4-triazine - Benzenoid - Triazine - Aryl halide - Pyridazine - Monocyclic benzene moiety - Aryl chloride - Heteroaromatic compound - Lactam - Organoheterocyclic compound - Azacycle - Carbonitrile - Nitrile - Organonitrogen compound - Cyanide - Organic nitrogen compound - Organochloride - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
THRA Tclin Thyroid hormone receptor alpha (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
THRB Tclin Thyroid hormone receptor beta (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
THRA Tclin Thyroid hormone receptor alpha (894 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CSNK1D Tchem Casein kinase I delta (4546 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A5 Tclin Cytochrome P450 3A5 (525 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Homo sapiens (32628 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Caco-2 (12174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U2OS (164939 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRPF1 Tchem Peregrin (2217 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK-293T (167025 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Mapk1 MAP kinase ERK2 (650 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Oryctolagus cuniculus (11301 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasma (328 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
DMSO (mg/ml) Solubilidad máxima87
DMSO (mM) Solubilidad máxima199.898901704885
Agua (mg/ml) Solubilidad máxima<1
Peso molecular435.200 g/mol
XLogP32.700
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass434.03 Da
Monoisotopic Mass434.03 Da
Topological Polar Surface Area136.000 Ų
Heavy Atom Count29
Formal Charge0
Complexity878.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
Referencias
1. Chang Liu, Yue Xu, Haikuan Yuan, Guangxin Tian, Xiaolan Qin, Boxuan Lou, Xijian Liu, Lijuan Zhang, Jie Lu.  (2023)  Solubility determination, dissolution properties and solid transformation of resmetirom (form A) in heptane and seven alcohols.  RSC Advances,  13  (32): (22172-22184).  [PMID:37520754] [10.1039/D3RA02521G]
2. Yixuan Wang, Tingting Yu, Xinjie Zhang, Yutong Wang, Lanlan Gui, Wushuang Zeng, Liang Huang, Ke Lan.  (2025)  Metabolic Flux Analysis of Bile Acid Biosynthesis Acidic Pathway in HepG2 Cells Reveals CYP8B1 Inhibition of Azole Antifungals.  DRUG METABOLISM AND DISPOSITION,      [PMID:41124962] [10.1016/j.dmd.2025.100168]
Calculadoras de soluciones
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