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Key Documents

SML0290

Sigma-Aldrich

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

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About This Item

Empirical Formula (Hill Notation):
C20H24N2O7S
CAS Number:
Molecular Weight:
436.48
UNSPSC Code:
51111800
PubChem Substance ID:
NACRES:
NA.77

Quality Level

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

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.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable


Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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