CHEBI:50095 - bucladesine

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ChEBI Name bucladesine
ChEBI ID CHEBI:50095
Definition A 3',5'-cyclic purine nucleotide that is the 2'-butanoate ester and 6-N-butanoyl derivative of 3',5'-cyclic AMP.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Sandra Orchard
Secondary ChEBI IDs CHEBI:143000
Supplier Information ChemicalBook:CB9752065, eMolecules:491943
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Formula C18H24N5O8P
Net Charge 0
Average Mass 469.391
Monoisotopic Mass 469.13625
InChI InChI=1S/C18H24N5O8P/c1-3-5-11(24)22-16-13-17(20-8-19-16)23(9-21-13)18-15(30-12(25)6-4-2)14-10(29-18)7-28-32(26,27)31-14/h8-10,14-15,18H,3-7H2,1-2H3,(H,26,27)(H,19,20,22,24)/t10-,14-,15-,18-/m1/s1
InChIKey CJGYSWNGNKCJSB-YVLZZHOMSA-N
SMILES [C@H]12O[C@H]([C@@H]([C@@H]1OP(OC2)(=O)O)OC(=O)CCC)N3C=NC=4C(=NC=NC34)NC(=O)CCC
Roles Classification
Biological Role(s): agonist
Substance which binds to cell receptors normally responding to naturally occurring substances and which produces a response of its own.
Application(s): vasodilator agent
A drug used to cause dilation of the blood vessels.
cardiotonic drug
A drug that has a strengthening effect on the heart or that can increase cardiac output.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing bucladesine (CHEBI:50095) has functional parent 3',5'-cyclic AMP (CHEBI:17489)
bucladesine (CHEBI:50095) has role agonist (CHEBI:48705)
bucladesine (CHEBI:50095) has role cardiotonic drug (CHEBI:38147)
bucladesine (CHEBI:50095) has role vasodilator agent (CHEBI:35620)
bucladesine (CHEBI:50095) is a 3',5'-cyclic purine nucleotide (CHEBI:19834)
bucladesine (CHEBI:50095) is a butanamides (CHEBI:22965)
bucladesine (CHEBI:50095) is a butyrate ester (CHEBI:50477)
IUPAC Names
(4aR,6R,7R,7aR)-6-(6-butanamido-9H-purin-9-yl)-2-hydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl butanoate
6-N-butanoyl-2'-O-butanoyladenosine 3',5'-(hydrogen phosphate)
INNs Sources
bucladesina ChemIDplus
bucladesine ChemIDplus
bucladesinum ChemIDplus
Synonyms Sources
3',5'-cyclic AMP dibutyrate ChemIDplus
Bt2cAMP SUBMITTER
dbcAMP DrugCentral
dibutyryl 3',5'-cyclic AMP ChemIDplus
dibutyryl adenosine 3',5'-cyclic phosphate ChemIDplus
dibutyryl adenosine 3',5'-monophosphate ChemIDplus
dibutyryl cAMP ChemIDplus
dibutyryl cyclic 3',5'-adenylic acid ChemIDplus
dibutyryl cyclic adenosine 3',5'-monophosphate ChemIDplus
dibutyryl cyclic AMP ChemIDplus
dibutyryl-3',5'-AMP ChemIDplus
dibutyryladenosine 3',5'-cyclic monophosphate ChemIDplus
dibutyryladenosine cyclic monophosphate ChemIDplus
N6,2'-O-dibutyryl cAMP ChemIDplus
N6,2'-O-dibutyryl cyclic AMP ChemIDplus
N6,O2'-dibutyryl adenosine 3',5'-cyclic monophosphate ChemIDplus
N6,O2'-dibutyryl cAMP ChemIDplus
N6,O2'-dibutyryl cyclic 3',5'-AMP ChemIDplus
N6,O2'-dibutyryl cyclic AMP ChemIDplus
N6,O2'-dibutyryl-3',5'-cyclic AMP ChemIDplus
N6,O2'-dibutyryladenosine 3',5'-monophosphate ChemIDplus
Manual Xrefs Databases
415 DrugCentral
Bucladesine Wikipedia
D07546 KEGG DRUG
LSM-1926 LINCS
View more database links
Registry Numbers Types Sources
362-74-3 CAS Registry Number KEGG DRUG
362-74-3 CAS Registry Number ChemIDplus
871714 Reaxys Registry Number Reaxys
Citations Types Sources
15231695 PubMed citation Europe PMC
20353690 PubMed citation Europe PMC
23335001 PubMed citation Europe PMC
27022216 PubMed citation Europe PMC
29963999 PubMed citation Europe PMC
Last Modified
20 March 2019