CHEBI:144947 - TY 52156

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ChEBI Name TY 52156
ChEBI ID CHEBI:144947
Definition An 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).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Sabrina Toro
Supplier Information
Download Molfile XML SDF
Formula C18H19Cl2N3O
Net Charge 0
Average Mass 364.270
Monoisotopic Mass 363.09052
InChI InChI=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)
InChIKey XONRRGIRSGNWFP-UHFFFAOYSA-N
SMILES ClC1=CC=C(N=C(C(=O)C(C)(C)C)NNC2=CC=C(Cl)C=C2)C=C1
Roles Classification
Biological Role(s): sphingosine-1-phosphate receptor 3 antagonist
Any sphingosine-1-phosphate receptor (S1PR) antagonist that acts as an antagonist towards the subtype 3 receptors (S1PR3).
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ChEBI Ontology
Outgoing 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 Sources
N-(4-chlorophenyl)-3,3-dimethyl-2-oxobutanimidic 2-(4-chlorophenyl) hydrazide SUBMITTER
TY-52156 ChEBI
TY52156 ChEBI
Registry Number Type Source
934369-14-9 CAS Registry Number SUBMITTER
Citations Waiting for Citations Types Sources
20097776 PubMed citation Europe PMC
30587459 PubMed citation Europe PMC
30793318 PubMed citation Europe PMC
30917625 PubMed citation Europe PMC
PMC5692705 PubMed Central citation Europe PMC
PMC5692979 PubMed Central citation Europe PMC
Last Modified
27 September 2019