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Bucladesine calcium

CAT: 0957-E4793-50mgSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0957-E4793-50mgSize:50 mg
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CAS Number
938448-87-4
Synonyms
Dibutyryl-cAMP Calcium Salt, DBcAMP calcium salt
Target
PKA
Applications
Stem Cells & Wnt
Molecular Formula
C18H24N5O8P.1/2Ca
Additionnal Information
Bucladesine calcium (Dibutyryl-cAMP Calcium Salt, DBcAMP calcium salt) is a cell-permeable analog of cyclic AMP. It serves as a potent activator of protein kinase A (PKA) and mimics the effects of endogenous cAMP. It also inhibits phosphodiesterase (PDE) activity, with the potential to treat congestive heart failure, wound healing, and inflammation.

Chemical Information

Bucladesine calcium
CAS Number938448-87-4
PubChem CID44514776
IUPAC Namecalcium bis([(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)
Molecular FormulaC36H46CaN10O16P2
Molecular Weight976.8
Topological Polar Surface Area334
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count22
Rotatable Bond Count16
Heavy Atom Count65
Formal Charge0
Complexity751
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.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.[Ca+2]
InChI
InChI=1S/2C18H24N5O8P.Ca/c2*1-3-5-11(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;/h2*8-10,14-15,18H,3-7H2,1-2H3,(H,26,27)(H,19,20,22,24);/q;;+2/p-2/t2*10-,14-,15-,18-;/m11./s1
InChIKey
RCFZVVHQICKFQW-NGVPHMJWSA-L
Chemical Structure
2D Structure
2D structure of Bucladesine calcium
CAS: 938448-87-4
CID: 44514776
Formula: C36H46CaN10O16P2
MW: 976.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight976.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count22
Rotatable Bond Count16
Exact Mass976.2194403
Monoisotopic Mass976.2194403
Topological Polar Surface Area334 Ų
Heavy Atom Count65
Formal Charge0
Complexity751
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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C03352-250mgBucladesine calcium
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