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Nisoldipine-d6

CAT: 0804-HY-17402SSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-17402SSize:1 mg
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Description
Nisoldipine-d6 is the deuterium labeled Nisoldipine. Nisoldipine (BAY-k 5552; Sular) is a calcium channel blocker belonging to the dihydropyridines class, specific for L-type Cav1.2 with an IC50 of 10 nM.
CAS Number
1285910-03-3
Product Name Alternative
BAY-k 5552-d6
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Calcium Channel; Isotope-Labeled Compounds; Reactive Oxygen Species (ROS)
Type
Isotope-Labeled Compounds
Related Pathways
Immunology/Inflammation; Membrane Transporter/Ion Channel; Metabolic Enzyme/Protease; Neuronal Signaling; NF-κB; Others
Field of Research
Cardiovascular Disease
Solubility
10 mM in DMSO
Smiles
O=C(C(C(C(C=CC=C1)=C1[N](=O)=O)C(C(OC)=O)=C2C)=C(N2)C)OCC(C([2H])([2H])[2H])C([2H])([2H])[2H]
Molecular Formula
C20H18D6N2O6
Molecular Weight
394.45
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216. |[2]Hamilton SF, Houle LM, Thadani U. Rapid-release and coat-core formulations of nisoldipine in treatment of hypertension, angina, and heart failure. Heart Dis. 1999 Nov-Dec;1 (5) :279-88.|[3]Fodor JG. Nisoldipine CC: efficacy and tolerability in hypertension and ischemic heart disease. Cardiovasc Drugs Ther. 1997 Jan;10 Suppl 3:873-9.|[4]D.J. Duncker, J.M. Hartog, P.G. Hugenholtz, et al. The effects of nisoldipine (Bay K 5552) on cardiovascular performance and regional blood flow in pentobarbital - anaesthetized pigs with or without β-adrenoceptor blockade. British Journal of Pharmacology. 1986,88 (1) : 9-18|[5]Jan W. De Jong, Tom Huizer, Jan G.P. Tijssen. Energy conservation by nisoldipine in ischaemic heart. British Journal of Pharmacology. 1984, 83 (4) : 943-949
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Nisoldipine-d6
CAS Number1285910-03-3
PubChem CID45359045
IUPAC Name3-O-methyl 5-O-[3,3,3-trideuterio-2-(trideuteriomethyl)propyl] 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Molecular FormulaC20H24N2O6
Molecular Weight394.5
XLogP3.3
Topological Polar Surface Area110
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity704
SMILES
[2H]C([2H])([2H])C(COC(=O)C1=C(NC(=C(C1C2=CC=CC=C2[N+](=O)[O-])C(=O)OC)C)C)C([2H])([2H])[2H]
InChI
InChI=1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,18,21H,10H2,1-5H3/i1D3,2D3
InChIKey
VKQFCGNPDRICFG-WFGJKAKNSA-N
Chemical Structure
2D Structure
2D structure of Nisoldipine-d6
CAS: 1285910-03-3
CID: 45359045
Formula: C20H24N2O6
MW: 394.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.5
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass394.20109697
Monoisotopic Mass394.20109697
Topological Polar Surface Area110 Ų
Heavy Atom Count28
Formal Charge0
Complexity704
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
RM-N190407-01Nisoldipine-D6
AR-N01641-01Dehydro nisoldipine-d6
AR-N08866-01Nisoldipine USP Related Compound D-d6 (Dehydro Nisoldipine-d6)
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285160-01Nisoldipine

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