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Merck
CN

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

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About This Item

Empirical Formula (Hill Notation):
C20H24N2O7S
CAS Number:
573965-48-7
Molecular Weight:
436.48
UNSPSC Code:
51111800
PubChem Substance ID:
329825298
NACRES:
NA.77

Key Documents

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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

assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

H2O: ≥5 mg/mL (warmed)

storage temp.

−20°C

Quality Level

100

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).
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

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
0000180199
0000180199
0000092698
0000092699
0000024759

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Articles

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