Loratadine N-oxide | CAS#165739-62-8 | Inverse agonist loratadine

Loratadine N-oxide
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WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 112003

CAS#: 165739-62-8

Description: Loratadine N-oxide is a metabolite of the histamine H1 receptor inverse agonist loratadine.

Chemical Structure

Loratadine N-oxide

CAS# 165739-62-8

Instruction

Theoretical Analysis

MedKoo Cat#: 112003
Name: Loratadine N-oxide
CAS#: 165739-62-8
Chemical Formula: C22H23ClN2O3
Exact Mass: 398.14
Molecular Weight: 398.890
Elemental Analysis: C, 66.24; H, 5.81; Cl, 8.89; N, 7.02; O, 12.03

Price and Availability

Size	Price	Availability
5mg	USD 350	2 Weeks
10mg	USD 550	2 Weeks
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

Synonym: SCH 38554; SCH-38554; SCH38554; Loratadine N-oxide; Loratadine N oxide

IUPAC/Chemical Name: 8-chloro-11-(1-(ethoxycarbonyl)piperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine 1-oxide

InChi Key: AEYRDESTWAYZTA-UHFFFAOYSA-N

InChi Code: InChI=1S/C22H23ClN2O3/c1-2-28-22(26)24-12-9-15(10-13-24)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-25(27)21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3

SMILES Code: O=C(OCC)N1CC/C(CC1)=C2C3=C(C=C(C=C3)Cl)CCC4=CC=CN(=O)=C4\2

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: To be determined

Shelf Life: >2 years if stored properly

Drug Formulation: To be determined

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Instruction:

View handling instruction

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 398.89 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Stone EA, Cutrona KJ, Miller SJ. Asymmetric Catalysis upon Helically Chiral Loratadine Analogues Unveils Enantiomer-Dependent Antihistamine Activity. J Am Chem Soc. 2020 Jul 22;142(29):12690-12698. doi: 10.1021/jacs.0c03904. Epub 2020 Jul 9. PMID: 32579347; PMCID: PMC7970157.

2: Hsieh SY, Tang Y, Crotti S, Stone EA, Miller SJ. Catalytic Enantioselective Pyridine N-Oxidation. J Am Chem Soc. 2019 Nov 20;141(46):18624-18629. doi: 10.1021/jacs.9b10414. Epub 2019 Nov 12. PMID: 31656070; PMCID: PMC6926419.

3: Aratyn-Schaus Y, Ramanathan R. Advances in high-resolution MS and hepatocyte models solve a long-standing metabolism challenge: the loratadine story. Bioanalysis. 2016 Aug;8(16):1645-62. doi: 10.4155/bio-2016-0094. Epub 2016 Jul 27. PMID: 27460981.

4: Shah RP, Garg A, Putlur SP, Wagh S, Kumar V, Rao V, Singh S, Mandlekar S, Desikan S. Practical and economical implementation of online H/D exchange in LC- MS. Anal Chem. 2013 Nov 19;85(22):10904-12. doi: 10.1021/ac402339s. Epub 2013 Nov 8. PMID: 24117319.

5: Chen G, Daaro I, Pramanik BN, Piwinski JJ. Structural characterization of in vitro rat liver microsomal metabolites of antihistamine desloratadine using LTQ- Orbitrap hybrid mass spectrometer in combination with online hydrogen/deuterium exchange HR-LC/MS. J Mass Spectrom. 2009 Feb;44(2):203-13. doi: 10.1002/jms.1498. PMID: 18853472.

6: Ramanathan R, Alvarez N, Su AD, Chowdhury S, Alton K, Stauber K, Patrick J. Metabolism and excretion of loratadine in male and female mice, rats and monkeys. Xenobiotica. 2005 Feb;35(2):155-89. doi: 10.1080/00498250500038906. PMID: 16019945.

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Loratadine N-oxide featured