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Resmetirom (MGL-3196) - 10mM in DMSO, high purity , CAS No.920509-32-6
Basic Description 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 Specifications & Purity Moligand™, 10mM in DMSO 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 -80°C Shipped In Ice chest + Ice pads Grade Moligand™ 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(Human) Associated Targets(non-human) Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
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
Chemical and Physical Properties 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.
Citations of This Product 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 ]
References 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 ]
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