BRL-50481 (CHEBI:93472)

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ChEBI Name	BRL-50481

ChEBI ID	CHEBI:93472

Definition	A C-nitro compound that is benzene substituted by N,N-dimethylaminosulfonyl, methyl and nitro groups at positions 1, 2 and 5, respectively. It is a phosphodiesterase inhibitor selective for the PDE7 subtype (Ki = 180 nM).

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C9H12N2O4S

Net Charge

Average Mass

244.270

Monoisotopic Mass

244.05178

InChI

InChI=1S/C9H12N2O4S/c1-7-4-5-8(11(12)13)6-9(7)16(14,15)10(2)3/h4-6H,1-3H3

InChIKey

IFIUFCJFLGCQPH-UHFFFAOYSA-N

SMILES

CN(C)S(=O)(=O)C1=C(C)C=CC(=C1)[N+]([O-])=O

Roles Classification
Biological Role(s):	EC 3.1.4.53 (3',5'-cyclic-AMP phosphodiesterase) inhibitor An EC 3.1.4.* (phosphoric diester hydrolase) inhibitor that interferes with the action of a 3',5'-cyclic-AMP phosphodiesterase (EC 3.1.4.53).

Application(s):	geroprotector Any compound that supports healthy aging, slows the biological aging process, or extends lifespan. bone density conservation agent An agent that inhibits bone resorption and/or favor bone mineralization and bone regeneration. Used to heal bone fractures and to treat bone diseases such as osteopenia and osteoporosis.

ChEBI Ontology
Outgoing	BRL-50481 (CHEBI:93472) has role bone density conservation agent (CHEBI:50646) BRL-50481 (CHEBI:93472) has role EC 3.1.4.53 (3',5'-cyclic-AMP phosphodiesterase) inhibitor (CHEBI:77758) BRL-50481 (CHEBI:93472) has role geroprotector (CHEBI:176497) BRL-50481 (CHEBI:93472) is a C-nitro compound (CHEBI:35716) BRL-50481 (CHEBI:93472) is a sulfonamide (CHEBI:35358) BRL-50481 (CHEBI:93472) is a toluenes (CHEBI:27024)

IUPAC Name

N,N,2-trimethyl-5-nitrobenzenesulfonamide

Synonyms	Sources
3-(N,N-dimethylsulfonamido)-4-methyl-nitrobenzene	ChEBI
BRL 50481	ChEBI
BRL50481	ChEBI
N,N,2-trimethyl-5-nitrobenzene-1-sulfonamide	IUPAC

Registry Number	Type	Source
433695-36-4	CAS Registry Number	ChemIDplus

Last Modified

21 September 2021