N4,2'-O-Dibutyrylcytidine-3',5-cyclic monophosphate

Base Information

• Chemical Name: N4,2'-O-Dibutyrylcytidine-3',5-cyclic monophosphate
• CAS No.: 16980-89-5
• Molecular Formula: C18H24N5NaO8P
• Molecular Weight: 492.37
• Hs Code.: 29349990
• European Community (EC) Number: 241-059-4
• Wikipedia: Bucladesine
• NCI Thesaurus Code: C83562
• Mol file: 16980-89-5.mol

Synonyms:bucladesine;Bucladesine sodium;N4,2'-O-Dibutyrylcytidine-3',5-cyclic monophosphate;DT 5621 sodium salt;Dibutyl cAMP sodium salt;Dibutyl cyclic AMP sodium;MLS001148197;C18H23N5O8O.Na;C18H24N5O8P.Na;Dibutyl cyclic AMP sodium salt;Monosodium dibutyryl cyclic AMP;C18-H23-N5-O8-O.Na;EINECS 241-059-4;Sodium dibutyryl 3',5'-cyclic AMP;Sodium dibutyryl cyclic adenosine-3',5'-monophosphate;dibutyrylcyclic AMP;N6,2'-O-DIBUTYRYLADENOSINE-3',5'-CYCLIC MONOPHOSPHATE SODIUM SALT;Tocris-1141;16980-89-5;Adenosine, N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate, monosodium salt;Adenosine, N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate)-2'-butanoate, monosodium salt;sodium;[(4aR,6R,7R,7aR)-6-[6-(butanoylamino)purin-9-yl]-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate;BDBM81290;cid_23663967;NCGC00021992-02;NCGC00021992-04;NCGC00021992-05;[(4aR,6R,7R,7aR)-6-[6-(butanoylamino)purin-9-yl]-2-oxidanidyl-2-oxidanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate;butanoic acid [(4aR,6R,7R,7aR)-2-oxido-2-oxo-6-[6-(1-oxobutylamino)-9-purinyl]-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-7-yl] ester;butyric acid [(4aR,6R,7R,7aR)-6-(6-butyramidopurin-9-yl)-2-keto-2-oxido-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-7-yl] ester;hydrate

Chemical Property of N4,2'-O-Dibutyrylcytidine-3',5-cyclic monophosphate

Chemical Property:

• Appearance/Colour: colorless or white crystalline powder
• PSA: 176.63000
• LogP: 2.20120
• Storage Temp.: −20°C
• Solubility.: H2O: 50 mg/mL
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 8
• Exact Mass: 468.12842471
• Heavy Atom Count: 32
• Complexity: 751

Purity/Quality:

95%min , ^*data from raw suppliers

Dibutyryl-cAMP, sodium salt ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)NC1=C2C(=NC=N1)N(C=N2)C3C(C4C(O3)COP(=O)(O4)[O-])OC(=O)CCC
• Isomeric SMILES: CCCC(=O)NC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)[O-])OC(=O)CCC
• Description: Bucladesine sodium is a derivative of cyclic-AMP with cardiac stimulant and peripheral vasodilatory properties. It is reported to be useful in cardiac insufficiency, especially after heart surgery.
• Uses: Bucladesine sodium is an analog of cyclic AMP that stimulates cAMP-dependent protein kinase. It has vasodilator properties and is used as a cardiac stimulant.