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CHEBI:50095 - bucladesine

ChEBI IDCHEBI:50095
ChEBI Namebucladesine
Stars
DefinitionA 3',5'-cyclic purine nucleotide that is the 2'-butanoate ester and 6-N-butanoyl derivative of 3',5'-cyclic AMP.
Secondary ChEBI IDCHEBI:143000
Last Modified20 March 2019
SubmitterKirill Degtyarenko, Sandra Orchard
DownloadsMolfile
FormulaC18H24N5O8P
Net Charge0
Average Mass469.391
Monoisotopic Mass469.13625
SMILESCCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1OC(=O)CCC
InChIInChI=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
InChIKeyCJGYSWNGNKCJSB-YVLZZHOMSA-N
Wikipedia
Roles Classification
Biological Role:
agonist  Substance which binds to cell receptors normally responding to naturally occurring substances and which produces a response of its own.
Applications:
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.
ChEBI Ontology
Outgoing Relation(s)
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 
6-N-butanoyl-2'-O-butanoyladenosine 3',5'-(hydrogen phosphate)
(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
INNs  Source
bucladesineChemIDplus
bucladesinaChemIDplus
bucladesinumChemIDplus
Synonyms  Source
3',5'-cyclic AMP dibutyrateChemIDplus
dibutyryl adenosine 3',5'-cyclic phosphateChemIDplus
dibutyryl cAMPChemIDplus
dibutyryladenosine 3',5'-cyclic monophosphateChemIDplus
dibutyryl adenosine 3',5'-monophosphateChemIDplus
N6,O2'-dibutyryl cAMPChemIDplus
Manual XrefsDatabases
D07546KEGG DRUG
LSM-1926LINCS
415DrugCentral
BucladesineWikipedia
Registry NumbersSources
Reaxys:871714Reaxys
CAS:362-74-3ChemIDplus
CAS:362-74-3KEGG DRUG
Citations