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Nifedipine-d4

CAT: 0804-HY-B0284S1-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0284S1-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Nifedipine-d4 is the deuterium labeled Nifedipine. Nifedipine (BAY-a-1040) is a potent calcium channel blocker and agent of choice for cardiac insufficiencies.
CAS Number
1219798-99-8
Product Name Alternative
BAY-a-1040-d4
UNSPSC
12352005
Target
Autophagy; Calcium Channel; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Autophagy; Membrane Transporter/Ion Channel; Neuronal Signaling; Others
Field of Research
Cardiovascular Disease; Cancer
Solubility
10 mM in DMSO
Smiles
COC(C1=C(C)NC(C)=C(C(OC)=O)C1C2=C(C([2H])=C([2H])C([2H])=C2[2H])[N+]([O-])=O)=O
Molecular Formula
C17H14D4N2O6
Molecular Weight
350.36
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216. |[2]Ratre MS, et al. Effect of azithromycin on gingival overgrowth induced by cyclosporine A + nifedipine combination therapy: A morphometric analysis in rats. J Indian Soc Periodontol. 2016 Jul-Aug;20 (4) :396-401.|[3]Yu SS, et al. Nifedipine Increases Iron Content in WKPT-0293 Cl.2 Cells via Up-Regulating Iron Influx Proteins. Front Pharmacol. 2017 Feb 13;8:60|[4]Carvajal JA, et al. The Synergic In Vitro Tocolytic Effect of Nifedipine Plus Ritodrine on Human Myometrial Contractility. Reprod Sci. 2017 Apr;24 (4) :635-640.|[5]Liu P, et al. The L-type Ca (2+) Channel Blocker Nifedipine Inhibits Mycelial Growth, Sporulation, and Virulence of Phytophthora capsici. Front Microbiol. 2016 Aug 4;7:1236.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Nifedipine d4
CAS Number1219798-99-8
PubChem CID49849383
IUPAC Namedimethyl 2,6-dimethyl-4-(2,3,4,5-tetradeuterio-6-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Molecular FormulaC17H18N2O6
Molecular Weight350.36
XLogP2.2
Topological Polar Surface Area110
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity608
SMILES
[2H]C1=C(C(=C(C(=C1[2H])C2C(=C(NC(=C2C(=O)OC)C)C)C(=O)OC)[N+](=O)[O-])[2H])[2H]
InChI
InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3/i5D,6D,7D,8D
InChIKey
HYIMSNHJOBLJNT-KDWZCNHSSA-N
Chemical Structure
2D Structure
2D structure of Nifedipine d4
CAS: 1219798-99-8
CID: 49849383
Formula: C17H18N2O6
MW: 350.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight350.36
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass350.14159328
Monoisotopic Mass350.14159328
Topological Polar Surface Area110 Ų
Heavy Atom Count25
Formal Charge0
Complexity608
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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