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CHEBI:84612 - 8-(4-chlorophenylthio)-cAMP

ChEBI IDCHEBI:84612
ChEBI Name8-(4-chlorophenylthio)-cAMP
Stars
DefinitionA 3',5'-cyclic purine nucleotide that is 3',5'-cyclic AMP in which the hydrogen at position 2 on the purine fragment is replaced by a 4-chlorophenylthio group.
Last Modified23 March 2015
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC16H15ClN5O6PS
Net Charge0
Average Mass471.819
Monoisotopic Mass471.01692
SMILESNc1ncnc2c1nc(Sc1ccc(Cl)cc1)n2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O
InChIInChI=1S/C16H15ClN5O6PS/c17-7-1-3-8(4-2-7)30-16-21-10-13(18)19-6-20-14(10)22(16)15-11(23)12-9(27-15)5-26-29(24,25)28-12/h1-4,6,9,11-12,15,23H,5H2,(H,24,25)(H2,18,19,20)/t9-,11-,12-,15-/m1/s1
InChIKeyAAZMHPMNAVEBRE-SDBHATRESA-N
Roles Classification
Biological Role:
protein kinase agonist  An agonist that selectively binds to and activates a protein kinase receptor.
ChEBI Ontology
Outgoing Relation(s)
8-(4-chlorophenylthio)-cAMP (CHEBI:84612) has functional parent 3',5'-cyclic AMP (CHEBI:17489)
8-(4-chlorophenylthio)-cAMP (CHEBI:84612) has role protein kinase agonist (CHEBI:64106)
8-(4-chlorophenylthio)-cAMP (CHEBI:84612) is a 3',5'-cyclic purine nucleotide (CHEBI:19834)
8-(4-chlorophenylthio)-cAMP (CHEBI:84612) is a adenyl ribonucleotide (CHEBI:61296)
8-(4-chlorophenylthio)-cAMP (CHEBI:84612) is a aryl sulfide (CHEBI:35683)
8-(4-chlorophenylthio)-cAMP (CHEBI:84612) is a organochlorine compound (CHEBI:36683)
Incoming Relation(s)
8-((4-chlorophenyl)thio)cyclic-3',5'-AMP, monosodium salt (CHEBI:233462) has part 8-(4-chlorophenylthio)-cAMP (CHEBI:84612)
IUPAC Name 
(4aR,6R,7R,7aS)-6-{6-amino-8-[(4-chlorophenyl)sulfanyl]-9H-purin-9-yl}-2,7-dihydroxytetrahydro-2H,4H-2λ5-furo[3,2-d][1,3,2]dioxaphosphinin-2-one
Synonyms  Source
8-CPT-cAMPChEBI
8-(4-chlorophenylthio)adenosine cyclic 3',5'-phosphateChEBI
8-(4-chlorophenylthio)-3',5'-cyclic AMPChEBI
8-(4-chlorophenylthio)-cyclic AMPChEBI
8-Parachlorophenylthio campChemIDplus
8-((4-Chlorophenyl)thio)cyclic-3',5'-ampChemIDplus
Registry NumbersSources
Reaxys:598763Reaxys
CAS:41941-66-6ChemIDplus
Citations