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Felodipine-d3

CAT: 0804-HY-B0309S2Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0309S2Size:1 mg
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Description
Felodipine-d3 is the deuterium labeled Felodipine. Felodipine, a dihydropyridine, is a potent, vasoselective calcium channel antagonist. Felodipine lowers blood pressure (BP) by selective action on vascular smooth muscle, especially in the resistance vessels. Felodipine, an anti-hypertensive agent, induces autophagy. Felodipine can cross the blood-brain barrier[1][2][3].
CAS Number
1219795-30-8
UNSPSC
12352005
Target
Autophagy; Calcium Channel
Type
Isotope-Labeled Compounds
Related Pathways
Autophagy; Membrane Transporter/Ion Channel; Neuronal Signaling
Field of Research
Cardiovascular Disease
Purity
99.78
Solubility
10 mM in DMSO|DMSO : 100mg/mL (ultrasonic)
Smiles
CCOC(C1=C(C)NC(C)=C(C(OC)=O)C1C2=C(C(Cl)=C([2H])C([2H])=C2[2H])Cl)=O
Molecular Formula
C18H16D3Cl2NO4
Molecular Weight
387.27
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216. |[2]Johnson JD, et al. Calcium and calmodulin antagonists binding to calmodulin and relaxation of coronary segments. J Pharmacol Exp Ther. 1983;226 (2) :330-334.|[3]Siddiqi FH, et al. Felodipine induces autophagy in mouse brains with pharmacokinetics amenable to repurposing [published correction appears in Nat Commun. 2019 Jun 4;10 (1) :2530]. Nat Commun. 2019;10 (1) :1817. Published 2019 Apr 18.|[4]Yiu, S. and E.E. Knaus, Synthesis, biological evaluation, calcium channel antagonist activity, and anticonvulsant activity of felodipine coupled to a dihydropyridine-pyridinium salt redox chemical delivery system. J Med Chem, 1996. 39 (23) : p. 4576-82.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Felodipine-d3
CAS Number1219795-30-8
PubChem CID119057365
IUPAC Name5-O-ethyl 3-O-methyl 4-(2,3-dichloro-4,5,6-trideuteriophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Molecular FormulaC18H19Cl2NO4
Molecular Weight387.3
XLogP3.9
Topological Polar Surface Area64.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity614
SMILES
[2H]C1=C(C(=C(C(=C1[2H])Cl)Cl)C2C(=C(NC(=C2C(=O)OCC)C)C)C(=O)OC)[2H]
InChI
InChI=1S/C18H19Cl2NO4/c1-5-25-18(23)14-10(3)21-9(2)13(17(22)24-4)15(14)11-7-6-8-12(19)16(11)20/h6-8,15,21H,5H2,1-4H3/i6D,7D,8D
InChIKey
RZTAMFZIAATZDJ-AYBVGXBASA-N
Chemical Structure
2D Structure
2D structure of Felodipine-d3
CAS: 1219795-30-8
CID: 119057365
Formula: C18H19Cl2NO4
MW: 387.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.3
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass386.0879437
Monoisotopic Mass386.0879437
Topological Polar Surface Area64.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity614
Isotope Atom Count3
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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