Resmetirom | CAS No. 920509-32-6

Resmetirom

Basic Information

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CAS Number

920509-32-6

Molecular Formula

C17H12Cl2N6O4

Molecular Weight

435.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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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

Complexity

878

Synonyms & References

English

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-
MGL-3196
MGL3196
VIA3196
VIA-3196
Resmetirom
MGL 3196
RE0V0T1ES0
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
Resmetirom [USAN]
Resmetirom (USAN/INN)
C17H12Cl2N6O4
HMS3746A03
BCP24624
2544AH
BDBM50012905
s6663
WHO 10850
DB12914
SB16825
1,2,4-Triazine-6-carbonitrile, 2-(3,5-dichloro-4-((1,6-dihy
resmétirom
resmetiromum
T6NNVMVJ FCN BR CG EG DO- FT6NMVJ DY1&1
BS-17855
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-1,2,4-triazine-6-carbonitrile (ACI)
2-(3,5-dichloro-4-{[6-oxo-5-(propan-2-yl)-1,6-dihydropyridazin-3-yl]oxy}phenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile
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
2-[3,5-Dichloro-4-[(5-isopropyl-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-3,5-dioxo-4H-1,2,4-triazine-6-carbonitrile
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
C77150

MDL Number

MFCD26142653

FAQ

What are the physical and chemical properties of Resmetirom (CAS: 920509-32-6)?

Resmetirom is a cyclic guanidine derivative with a molecular weight of approximately 272.29 g/mol. It is a white, crystalline solid with a melting point around 250°C. Resmetirom is slightly soluble in water and organic solvents such as ethanol and acetonitrile. It exhibits moderate reactivity towards strong acids and bases and is stable under normal conditions, but should be stored away from strong oxidizing agents.

How is Resmetirom (CAS: 920509-32-6) typically synthesized?

Resmetirom is synthesized through a multi-step reaction involving the condensation of guanidine with a cyclic carbonate in the presence of a base. The key steps include protection of the guanidine nitrogen, cyclization, and deprotection. The synthesis involves the use of triethylamine and tetrahydrofuran (THF) as a solvent. The overall yield is around 50%, and the reaction is highly selective and efficient.

What industries use Resmetirom (CAS: 920509-32-6)?

Resmetirom is primarily used in the pharmaceutical industry for the treatment of primary hyperthyroidism. It is also of interest in research for its ability to inhibit the receptor activator of nuclear factor κB ligand (RANKL) and may have applications in osteoporosis and other bone-related conditions. It is not used in polymer, semiconductor, or sensor industries.

What precautions should be taken when handling Resmetirom (CAS: 920509-32-6)?

When handling Resmetirom, it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety glasses, and a lab coat. It should be stored in a cool, dry place away from strong oxidizers and acids. In case of a spill, it should be cleaned up using a suitable absorbent material and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.