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CHEBI:195541 - JTE-013

ChEBI IDCHEBI:195541
ChEBI NameJTE-013
Stars
DefinitionA semicarbazide derivative that is semicarbazide in which the amino group at position 2 is replaced by a [1,3-dimethyl-4-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]amino group and the amino group adjacent to the carbonyl is replaced by a (2,6-dichloropyridin-4-yl)amino group. It is a potent S1P2 antagonist (IC50 = 17.6 nM).
Secondary ChEBI IDCHEBI:92763
Last Modified10 August 2023
Submitterjonmuyskens
DownloadsMolfile
FormulaC17H19Cl2N7O
Net Charge0
Average Mass408.293
Monoisotopic Mass407.10281
SMILESCc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(C(C)C)c12
InChIInChI=1S/C17H19Cl2N7O/c1-8(2)11-7-14(22-16-15(11)9(3)25-26(16)4)23-24-17(27)20-10-5-12(18)21-13(19)6-10/h5-8H,1-4H3,(H,22,23)(H2,20,21,24,27)
InChIKeyRNSLRQNDXRSASX-UHFFFAOYSA-N
Roles Classification
Biological Roles:
sphingosine-1-phosphate receptor 2 antagonist  Any sphingosine-1-phosphate receptor (S1PR) antagonist that acts as an antagonist for the subtype 2 receptors (S1PR2).
osteogenesis regulator  Any compound that induces or regulates osteogenesis.
Applications:
anti-asthmatic agent  Any compound that has anti-asthmatic effects.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
pro-angiogenic agent  Any compound that promotes the growth of new blood vessels from pre-existing vessels.
ChEBI Ontology
Outgoing Relation(s)
JTE-013 (CHEBI:195541) has functional parent semicarbazide (CHEBI:28306)
JTE-013 (CHEBI:195541) has role anti-asthmatic agent (CHEBI:65023)
JTE-013 (CHEBI:195541) has role anti-inflammatory agent (CHEBI:67079)
JTE-013 (CHEBI:195541) has role antineoplastic agent (CHEBI:35610)
JTE-013 (CHEBI:195541) has role osteogenesis regulator (CHEBI:63054)
JTE-013 (CHEBI:195541) has role pro-angiogenic agent (CHEBI:72571)
JTE-013 (CHEBI:195541) has role sphingosine-1-phosphate receptor 2 antagonist (CHEBI:195542)
JTE-013 (CHEBI:195541) is a chloropyridine (CHEBI:39173)
JTE-013 (CHEBI:195541) is a pyrazolopyridine (CHEBI:46699)
IUPAC Name 
N-(2,6-dichloropyridin-4-yl)-2-[1,3-dimethyl-4-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]hydrazinecarboxamide
Synonyms  Source
1-[1,3-dimethyl-4-(2-methylethyl)-1H-pyrazolo[3,4-b]pyridin-6-yl]-4-(2,6-dichloro-4-pyridinyl)-semicarbazideChEBI
JTE 013SUBMITTER
N-(2,6-dichloropyridin-4-yl)-2-[1,3-dimethyl-4-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]hydrazine-1-carboxamideIUPAC
1-(2,6-dichloro-4-pyridinyl)-3-[(1,3-dimethyl-4-propan-2-yl-6-pyrazolo[3,4-b]pyridinyl)amino]ureaChEBI
JTE013ChEBI
Manual XrefsDatabases
LSM-2961LINCS
Registry NumbersSources
CAS:383150-41-2ChEBI
Citations