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CHEBI:144947 - TY 52156

ChEBI IDCHEBI:144947
ChEBI NameTY 52156
Stars
DefinitionAn imidohydrazide resulting from the formal condensation of the hydrazide carbonyl group of N'-(p-chlorophenyl)-3,3-dimethyl-2-oxobutanehydrazide with the amino group of p-chloroaniline. A potent and selective antagonist of sphingosine-1-phosphate receptor 3 (S1PR3).
Last Modified27 September 2019
Submittersabrina, zfin
DownloadsMolfile
FormulaC18H19Cl2N3O
Net Charge0
Average Mass364.276
Monoisotopic Mass363.09052
SMILESCC(C)(C)C(=O)C(=Nc1ccc(Cl)cc1)NNc1ccc(Cl)cc1
InChIInChI=1S/C18H19Cl2N3O/c1-18(2,3)16(24)17(21-14-8-4-12(19)5-9-14)23-22-15-10-6-13(20)7-11-15/h4-11,22H,1-3H3,(H,21,23)
InChIKeyXONRRGIRSGNWFP-UHFFFAOYSA-N
Roles Classification
Biological Role:
sphingosine-1-phosphate receptor 3 antagonist  Any sphingosine-1-phosphate receptor (S1PR) antagonist that acts as an antagonist towards the subtype 3 receptors (S1PR3).
ChEBI Ontology
Outgoing Relation(s)
TY 52156 (CHEBI:144947) has role sphingosine-1-phosphate receptor 3 antagonist (CHEBI:144997)
TY 52156 (CHEBI:144947) is a imidohydrazide (CHEBI:144996)
TY 52156 (CHEBI:144947) is a monochlorobenzenes (CHEBI:83403)
IUPAC Name 
N',N''-bis(4-chlorophenyl)-3,3-dimethyl-2-oxobutanimidohydrazide
Synonyms  Source
N-(4-chlorophenyl)-3,3-dimethyl-2-oxobutanimidic 2-(4-chlorophenyl) hydrazideSUBMITTER
TY52156ChEBI
TY-52156ChEBI
Registry NumbersSources
CAS:934369-14-9SUBMITTER
Citations