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Loratadine-d4-1

CAT: 0804-HY-17043S2-01Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0804-HY-17043S2-01Size:500 µg
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Description
Loratadine-d4-1 (Loratidine-d4-1) is deuterium labeled Loratadine. Loratadine (SCH-29851) is a selective inverse peripheral histamine H1-receptor agonist with an IC50 of >32 μM. Loratadine has anti-dengue-virus (DENV) activity. Loratadine can inhibit immunologic release of inflammatory mediators[1].
CAS Number
2748435-73-4
Product Name Alternative
Loratidine-d4-1; SCH 29851-d4-1
UNSPSC
12352005
Target
Dengue Virus; Flavivirus; Histamine Receptor; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Anti-infection; GPCR/G Protein; Immunology/Inflammation; Neuronal Signaling; Others
Field of Research
Infection; Endocrinology; Inflammation/Immunology; Cancer
Smiles
O=C(N1CC([2H])([2H])/C(C([2H])([2H])C1)=C2C3=CC=C(Cl)C=C3CCC4=CC=CN=C4\2)OCC
Molecular Formula
C22H19D4ClN2O2
Molecular Weight
386.91
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.|[2]Shahen M, et al. Dengue virus causes changes of MicroRNA-genes regulatory network revealing potential targets for antiviral drugs. BMC Syst Biol. 2018 Jan 4;12 (1) :2.|[3]Kleine-Tebbe J, et al. Inhibition of IgE- and non-IgE-mediated histamine release from human basophil leukocytes in vitro by a histamine H1-antagonist, desethoxycarbonyl-loratadine. J Allergy Clin Immunol. 1994;93 (2) :494-500.|[4]Kay GG, Harris AG. Loratadine: a non-sedating antihistamine. Review of its effects on cognition, psychomotor performance, mood and sedation. Clin Exp Allergy. 1999 Jul;29 Suppl 3:147-50.|[5]Menardo JL, Horak F, Danzig MR, Czarlewski W. A review of loratadine in the treatment of patients with allergic bronchial asthma. Clin Ther. 1997 Nov-Dec;19 (6) :1278-93; discussion 1523-4.|[6]Monroe EW. Loratadine in the treatment of urticaria. Clin Ther. 1997 Mar-Apr;19 (2) :232-42.|[7]Haria M, Fitton A, Peters DH. Loratadine. A reappraisal of its pharmacological properties and therapeutic use in allergic disorders. Drugs. 1994 Oct;48 (4) :617-37.|[8]Roman IJ, Danzig MR. Loratadine. A review of recent findings in pharmacology, pharmacokinetics, efficacy, and safety, with a look at its use in combination with pseudoephedrine. Clin Rev Allergy. 1993 Spring;11 (1) :89-110.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Loratadine-d4 (piperidinylidene-3,3,5,5-d4)
CAS Number2748435-73-4
PubChem CID163332199
IUPAC Nameethyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)-3,3,5,5-tetradeuteriopiperidine-1-carboxylate
Molecular FormulaC22H23ClN2O2
Molecular Weight386.9
XLogP5.2
Topological Polar Surface Area42.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity569
SMILES
[2H]C1(CN(CC(C1=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)([2H])[2H])C(=O)OCC)[2H]
InChI
InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3/i9D2,10D2
InChIKey
JCCNYMKQOSZNPW-YQUBHJMPSA-N
Chemical Structure
2D Structure
2D structure of Loratadine-d4 (piperidinylidene-3,3,5,5-d4)
CAS: 2748435-73-4
CID: 163332199
Formula: C22H23ClN2O2
MW: 386.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.9
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass386.1699127
Monoisotopic Mass386.1699127
Topological Polar Surface Area42.4 Ų
Heavy Atom Count27
Formal Charge0
Complexity569
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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