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Bay Y5959

CAT: 0804-HY-106927Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-106927Size:1 Each
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Description
Bay Y5959 is a potent calcium channel agonist. Bay Y5959 binds to the DHP receptor in a voltage-dependent manner increases both the mean open time and the mean closed time of the Ca-channel. Bay Y5959 has the potential for the research of congestive heart failure, arrhythmic[1][2].
CAS Number
146136-94-9
UNSPSC
12352005
Target
Calcium Channel
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/bay-y5959.html
Smiles
CC(C)OC(C1=C(N)NC(C)=C(C#N)[C@H]1C2=CC=CC3=C2C=C(C4=CC=CC=C4)C=N3)=O
Molecular Formula
C26H24N4O2
Molecular Weight
424.49
References & Citations
[1]Pu J, et al. Effects of Bay Y5959 on Ca2+ currents and intracellular Ca2+ in cells that have survived in the epicardial border of the infarcted canine heart. J Cardiovasc Pharmacol. 1999 Jun;33 (6) :929-37. |[2]Bechem M, et al. A new type of Ca-channel modulation by a novel class of 1,4-dihydropyridines. Life Sci. 1997;60 (2) :107-18.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Phase 2

Chemical Information

3-Pyridinecarboxylic acid, 2-amino-5-cyano-1,4-dihydro-6-methyl-4-(3-phenyl-5-quinolinyl)-, 1-methylethyl ester, (4R)-
CAS Number146136-94-9
PubChem CID9910240
IUPAC Namepropan-2-yl (4R)-2-amino-5-cyano-6-methyl-4-(3-phenylquinolin-5-yl)-1,4-dihydropyridine-3-carboxylate
Molecular FormulaC26H24N4O2
Molecular Weight424.5
XLogP4.8
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity830
SMILES
CC1=C([C@H](C(=C(N1)N)C(=O)OC(C)C)C2=C3C=C(C=NC3=CC=C2)C4=CC=CC=C4)C#N
InChI
InChI=1S/C26H24N4O2/c1-15(2)32-26(31)24-23(21(13-27)16(3)30-25(24)28)19-10-7-11-22-20(19)12-18(14-29-22)17-8-5-4-6-9-17/h4-12,14-15,23,30H,28H2,1-3H3/t23-/m1/s1
InChIKey
PHJVBZVDUNTGNR-HSZRJFAPSA-N
Chemical Structure
2D Structure
2D structure of 3-Pyridinecarboxylic acid, 2-amino-5-cyano-1,4-dihydro-6-methyl-4-(3-phenyl-5-quinolinyl)-, 1-methylethyl ester, (4R)-
CAS: 146136-94-9
CID: 9910240
Formula: C26H24N4O2
MW: 424.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.5
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass424.18992602
Monoisotopic Mass424.18992602
Topological Polar Surface Area101 Ų
Heavy Atom Count32
Formal Charge0
Complexity830
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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