Bucladesin

Bucladesine

HCID 9687CAS 362-74-3
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Grundinformationen

Standard-SMILES
CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1OC(=O)CCC
InChIKey
CJGYSWNGNKCJSB-YVLZZHOMSA-N
Summenformel
C18H24N5O8P
Durchschnittliche Molmasse
469,4 g/mol
Monoisotopische Masse
469,13624974

Namen und Bezeichner

Bevorzugter Name
Bucladesine
IUPAC
[(4aR,6R,7R,7aR)-6-[6-(butanoylamino)purin-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate
Lokaler Name
Bucladesin
Englischer Name
Bucladesine
Summenformel
C18H24N5O8P
Molmasse
469.39

Namen und Synonyme

bucladesineDibutyryl cAMP362-74-3Dibutyryl cyclic AMPdBcAMPActosinCyclic AMP dibutyrateBucladesinaDibutyryl-3',5'-AMPDibutyryl 3',5'-cyclic AMPBucladesinum3',5'-Cyclic AMP dibutyrate
Weitere Namen anzeigen
BucladesinN-(9-beta-D-RibofuraDibutyryl cyclic 3',5'-AMPCalciuM DibutyacyladenosineBucladesine (Dibutyryl-cAMP)Butyryladenosine Cyclophosphate
Dibutyryladenosine cyclic monophosphateDibutyryl cyclic 3',5'-adenylic acidDibutyryl adenosine 3',5'-monophosphateDibutyryl adenosine 3',5'-cyclic phosphateDTXSID1040459Dibutyryl cyclic adenosine monophosphateDibutyryladenosine 3',5'-cyclic monophosphateDibutyryl cyclic adenosine 3',5'-monophosphate

Datenbank-Bezeichner

CAS
362-74-3
PubChem CID
9687
DTXSID
DTXSID1040459
ChEMBL
CHEMBL485980
ChEBI
CHEBI:50095
UNII
63X7MBT2LQ
EC Number
206-649-8
Nikkaji
J33.134A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-0,5
Polarare Oberfläche (TPSA)
164 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
11
Frei drehbare Bindungen
8
Schwere Atome
32

Experimentelle und physikochemische Eigenschaften

Collision Cross Section · 2 Einträge

215.3 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

210.36 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；214.52 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；214.45 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Physikochemische Eigenschaften

Dichte
1.72 · 1.72±0.1 g/cm3(Predicted)
storage temp.
-20 °C · -20°C Freezer
Löslichkeit
DMSO; Methano
pka
0.82 · 0.82±0.60(Predicted)
Aggregatzustand
Solid
Farbe
White

Sicherheit und Regulatorisches

Gefahrenhinweise

Other Safety Information · 1 Eintrag

IMAP assessments - Adenosine, N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate: Environment tier I assessment；IMAP assessments - Adenosine, N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate: Human health tier I assessment

Sicherheitsdaten

Alarmwort
Warnung
Gefahrenhinweise
Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302

Chemie und Industrie

Pharmakologische Informationen

ATC Code · 2 Einträge

C - Cardiovascular system；C01 - Cardiac therapy；C01C - Cardiac stimulants excl. cardiac glycosides；C01CE - Phosphodiesterase inhibitors；C01CE04 - Bucladesine

QC - Cardiovascular system；QC01 - Cardiac therapy；QC01C - Cardiac stimulants excl. cardiac glycosides；QC01CE - Phosphodiesterase inhibitors；QC01CE04 - Bucladesine

Anwendungen · 2 Einträge

BeschreibungBucladesine is a cyclic nucleotide derivative that mimics the action of endogenous CYCLIC AMP and is capable of permeating the cell membrane. It has vasodilator properties and is used as a cardiac stimulant. (From Merck Index, 11th ed)

VerwendenBucladesine is a cell permeable cAMP analog. The compound is used in a wide variety of research applications because it mimics cAMP and can induce normal physiological responses when added to cells in experimental conditions. cAMP is only able to elicit minimal responses in these situations. The neurite outgrowth instigated by bucladesine in cell cultures has been shown to be enhanced by nardosinone.

Anbieter50 Anbieter

Hangzhou Meiya Pharmaceutical Co Ltd+86-021-33686691 +86-18001850931 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
湖北海克斯生化有限公司17362916295; 17362916295 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Ergänzende Hinweise · 1 Eintrag

DefinitionChEBI: Bucladesine is a 3',5'-cyclic purine nucleotide that is the 2'-butanoate ester and 6-N-butanoyl derivative of 3',5'-cyclic AMP. It has a role as an agonist, a vasodilator agent and a cardiotonic drug. It is a butyrate ester, a 3',5'-cyclic purine nucleotide and a member of butanamides. It is functionally related to a 3',5'-cyclic AMP.

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