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Isradipine-d3

CAT: 0804-HY-B0233S-02Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0233S-02Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Isradipine-d3 (PN 200-110-d3) is the deuterium labeled Isradipine. Isradipine (PN 200-110) is an orally active L-type calcium channel blocker. Isradipine, as a powerful peripheral vasodilator, is a dihydropyridine calcium antagonist with selective actions on the heart as well as the peripheral circulation. Isradipine is a potentially viable neuroprotective agent for Parkinson's disease[1][2][3].
CAS Number
1189959-59-8
UNSPSC
12352005
Target
Autophagy; Calcium Channel; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Autophagy; Membrane Transporter/Ion Channel; Neuronal Signaling; Others
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease; Cardiovascular Disease
Solubility
10 mM in DMSO
Smiles
C(OC(C)C)(=O)C=1C(C(C(OC([2H])([2H])[2H])=O)=C(C)NC1C)C=2C=3C(C=CC2)=NON3
Molecular Formula
C19H18D3N3O5
Molecular Weight
374.41
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.|[2]Ilijic E, et al. The L-type channel antagonist isradipine is neuroprotective in a mouse model of Parkinson's disease. Neurobiol Dis. 2011;43 (2) :364-371.|[3]Campbell CA, et al. Effects of isradipine, an L-type calcium channel blocker on permanent and transient focal cerebral ischemia in spontaneously hypertensive rats. Exp Neurol. 1997;148 (1) :45-50.|[4]Hof RP, et al. Selective effects of PN 200-110 (isradipine) on the peripheral circulation and the heart. Am J Cardiol. 1987;59 (3) :30B-36B.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Isradipine-d3
CAS Number1189959-59-8
PubChem CID45039616
IUPAC Name3-O-propan-2-yl 5-O-(trideuteriomethyl) 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Molecular FormulaC19H21N3O5
Molecular Weight374.4
XLogP4.3
Topological Polar Surface Area104
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity685
SMILES
[2H]C([2H])([2H])OC(=O)C1=C(NC(=C(C1C2=CC=CC3=NON=C32)C(=O)OC(C)C)C)C
InChI
InChI=1S/C19H21N3O5/c1-9(2)26-19(24)15-11(4)20-10(3)14(18(23)25-5)16(15)12-7-6-8-13-17(12)22-27-21-13/h6-9,16,20H,1-5H3/i5D3
InChIKey
HMJIYCCIJYRONP-VPYROQPTSA-N
Chemical Structure
2D Structure
2D structure of Isradipine-d3
CAS: 1189959-59-8
CID: 45039616
Formula: C19H21N3O5
MW: 374.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight374.4
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass374.16695102
Monoisotopic Mass374.16695102
Topological Polar Surface Area104 Ų
Heavy Atom Count27
Formal Charge0
Complexity685
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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