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BBR 2160

CAT: 0931-T26751-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T26751-01Size:25 mg
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CAS Number
118587-22-7
Target
Calcium Channel, Others
Related Pathways
Metabolism, Membrane transporter/Ion channel, Others
Bioactivity
BBR 2160 is a dihydropyridine derivative belonging to the group of the so-called tiampidine. BBR 2160 has calcium-antagonistic properties in cardiac tissue. Intracellular microelectrodes have been used to characterize the electrophysiological properties of BBR 2160 on guinea-pig papillary muscle and sheep Purkinje fibres. BBR 2160 (10 (-7) and 10 (-6) M) dose dependently decreased the contractility of driven papillary muscle and Purkinje fibre. This effect was associated with a lowering of the plateau phase and a shortening of action potential duration in papillary muscle.
Smiles
C(OCC)(=O)C=1C(C(C(OC)=O)=C(C)NC1CSCCNC=O)C2=CC(N(=O)=O)=CC=C2
Molecular Formula
C21H25N3O7S
Molecular Weight
463.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bbr 2160
CAS Number118587-22-7
PubChem CID195267
IUPAC Name3-O-ethyl 5-O-methyl 2-(2-formamidoethylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Molecular FormulaC21H25N3O7S
Molecular Weight463.5
XLogP2.3
Topological Polar Surface Area165
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Heavy Atom Count32
Formal Charge0
Complexity791
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)CSCCNC=O
InChI
InChI=1S/C21H25N3O7S/c1-4-31-21(27)19-16(11-32-9-8-22-12-25)23-13(2)17(20(26)30-3)18(19)14-6-5-7-15(10-14)24(28)29/h5-7,10,12,18,23H,4,8-9,11H2,1-3H3,(H,22,25)
InChIKey
CLMNTOZRDYXVRT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bbr 2160
CAS: 118587-22-7
CID: 195267
Formula: C21H25N3O7S
MW: 463.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight463.5
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass463.14132132
Monoisotopic Mass463.14132132
Topological Polar Surface Area165 Ų
Heavy Atom Count32
Formal Charge0
Complexity791
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes