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

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ChEBI Name 8-(4-chlorophenylthio)-cAMP
ChEBI ID CHEBI:84612
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Margaret Duesbury
Supplier Information
Download Molfile XML SDF
Formula C16H15ClN5O6PS
Net Charge 0
Average Mass 471.81200
Monoisotopic Mass 471.01692
InChI InChI=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
InChIKey AAZMHPMNAVEBRE-SDBHATRESA-N
SMILES Nc1ncnc2n([C@@H]3O[C@@H]4COP(O)(=O)O[C@H]4[C@H]3O)c(Sc3ccc(Cl)cc3)nc12
Roles Classification
Biological Role(s): protein kinase agonist
An agonist that selectively binds to and activates a protein kinase receptor.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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)
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 Sources
8-((4-Chlorophenyl)thio)cyclic-3',5'-amp ChemIDplus
8-(4-chlorophenylthio)-3',5'-cyclic AMP ChEBI
8-(4-chlorophenylthio)-cyclic AMP ChEBI
8-(4-chlorophenylthio)adenosine cyclic 3',5'-phosphate ChEBI
8-CPT-cAMP ChEBI
8-Parachlorophenylthio camp ChemIDplus
Registry Numbers Types Sources
41941-66-6 CAS Registry Number ChemIDplus
598763 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
23382200 PubMed citation Europe PMC
24586238 PubMed citation Europe PMC
24605759 PubMed citation SUBMITTER
Last Modified
23 March 2015