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CHEBI:93472 - BRL-50481

Default Structure
ChEBI IDCHEBI:93472
ChEBI NameBRL-50481
Stars
DefinitionA 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).
Last Modified21 September 2021
DownloadsMolfile
FormulaC9H12N2O4S
Net Charge0
Average Mass244.272
Monoisotopic Mass244.05178
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C
InChIInChI=1S/C9H12N2O4S/c1-7-4-5-8(11(12)13)6-9(7)16(14,15)10(2)3/h4-6H,1-3H3
InChIKeyIFIUFCJFLGCQPH-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
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).
Applications:
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 Relation(s)
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  Source
3-(N,N-dimethylsulfonamido)-4-methyl-nitrobenzeneChEBI
BRL 50481ChEBI
BRL50481ChEBI
N,N,2-trimethyl-5-nitrobenzene-1-sulfonamideIUPAC
Manual XrefsDatabases
2194720ChemSpider
BRL-50481Wikipedia
LSM-3887LINCS
Registry NumbersSources
CAS:433695-36-4ChemIDplus
Citations