SML0290

MLS000389544

≥98% (HPLC)

• Synonym(s): 4-(Methylsulfonyl)-3-nitro-benzoic acid 2-oxo-2-(tricyclo[3.3.1.13,7]dec-1-ylamino)ethyl ester, MLS-389544, [2-(1-Adamantylamino)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate
• Empirical Formula (Hill Notation): C₂₀H₂₄N₂O₇S
• CAS Number: 573965-48-7
• Molecular Weight: 436.48
• UNSPSC Code: 51111800
• PubChem Substance ID: 329825298
• NACRES: NA.77

Properties

• Assay: ≥98% (HPLC)
• form: powder
• color: white to beige
• solubility: H₂O: ≥5 mg/mL (warmed)
• storage temp.: −20°C
• SMILES string: CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3
• InChI: 1S/C20H24N2O7S/c1-30(27,28)17-3-2-15(7-16(17)22(25)26)19(24)29-11-18(23)21-20-8-12-4-13(9-20)6-14(5-12)10-20/h2-3,7,12-14H,4-6,8-11H2,1H3,(H,21,23)
• InChI key: BTXTVUJWNPMQBT-UHFFFAOYSA-N

Description

Biochem/physiol Actions

MLS000389544 is a selective and potent methylsulfonylnitrobenzoate thyroid hormone receptor β (TRβ) antagonist that blocks the association of TRβ with steroid receptor coactivator 2 (SRC2). It effectively block TR-mediated gene transcription. MLS000389544 is selective for TR over other NR family members. It appears to act by irreversible mechanisms and target cysteine residues in the coactivator binding pocket.

Features and Benefits

This compound is featured on the Nuclear Receptors (Non-Steroids) page of the Handbook of Receptor Classification and Signal Transduction. To browse other handbook pages, click here.

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable