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CHEBI:93472 - BRL-50481

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:
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.
geroprotector  Any compound that supports healthy aging, slows the biological aging process, or extends lifespan.
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
N,N,2-trimethyl-5-nitrobenzene-1-sulfonamideIUPAC
BRL 50481ChEBI
BRL50481ChEBI
3-(N,N-dimethylsulfonamido)-4-methyl-nitrobenzeneChEBI
Manual XrefsDatabases
LSM-3887LINCS
2194720ChemSpider
BRL-50481Wikipedia
Registry NumbersSources
CAS:433695-36-4ChemIDplus
Citations