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Desloratadine structure, CAS 100643-71-8

Desloratadine

CAS Number100643-71-8

Synonyms8-Chlor-11-piperidin-4-yliden-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin; 8-Chloro-6,11-dihydro-11-(4-piperidinylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine; UNII-FVF865388R; AzoMyr; DESLORATIDINE; MFCD00871949; Opulis; Desloratadine; 8-Chloro-11-(4-piperidinylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine; Allex; Descarboethoxyoratidine; Neoclarityn; Aerius; Sch34117; descarboethoxyloratadine; 8-chloro-11-(piperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine; Clarinex

Molecular FormulaC19H19ClN2

Molecular Weight310.82

Purity≥98 (HPLC)%

Density1.2±0.1 g/cm3

Boiling Point467.9±45.0 °C at 760 mmHg

Melting Point150-151°C

Flash Point

Appearancepowder

EINECS

MSDSChineseEnglish

SymbolTransport

Signal WordWarning

Cat. No.: 2A-9010053 Purity: ≥98 (HPLC)%
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Quality Control of [ 100643-71-8 ] Purity: ≥98 (HPLC)% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number100643-71-8
Catalog No.2A-9010053
Chinese Name地氯雷他定
Synonyms8-Chlor-11-piperidin-4-yliden-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin; 8-Chloro-6,11-dihydro-11-(4-piperidinylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine; UNII-FVF865388R; AzoMyr; DESLORATIDINE; MFCD00871949; Opulis; Desloratadine; 8-Chloro-11-(4-piperidinylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine; Allex; Descarboethoxyoratidine; Neoclarityn; Aerius; Sch34117; descarboethoxyloratadine; 8-chloro-11-(piperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine; Clarinex
Molecular FormulaC19H19ClN2
Molecular Weight310.82
Purity≥98 (HPLC)
Density1.2±0.1 g/cm3
Boiling Point467.9±45.0 °C at 760 mmHg
Melting Point150-151°C
Appearancepowder
Water SolubilityWater solubility: slightly soluble; easily soluble
Storage ConditionSealed and stored in a cool, dry warehouse. Refrig
ApplicationDesloratadine (Sch34117) is a human H1 receptor antagonist.
PubChem ID329798668
MDL NumberMFCD00871949
SMILESClc1ccc2c(CCc3cccnc3\C2=C4\CCNCC4)c1
InChI1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2
InChI KeyJAUOIFJMECXRGI-UHFFFAOYSA-N
NACRES CodeNA.32
UNSPSC12352200
Hazard SymbolsTransport
MSDSmsds/10053_1_100643_71_8.pdf
BioactivityDesloratadine(Sch34117) is a potent antagonist for human histamine H1 receptor used to treat allergies.Target: Histamine H1 ReceptorDesloratadine binds to the human H1 receptor with Ki value of 0.87 nM in displacing tritiated mepyramine. Desloratadine (100 nM to 10 μM) inhibits both IgE-mediated and non-IgE-mediated generation of the cytokines IL-4 and IL-13 by human basophils. Desloratadine (300 nM to 100 μM) inhibits both IgE and non-IgE-mediated histamine release from human peripheral blood basophils. Desloratadine (0.1 μM to 10 μM) is also shown to inhibit platelet-activating factor-induced eosinophil chemotaxis and TNF-α-induced eosinophil adhesion in eosinophils obtained from patients with allergic rhinitis or allergic asthma [1]. Desloratadine (1 μM-10 μM) dose-dependently inhibits the release of histamine and LTC4 from human basophils. Desloratadine (0.1 μM-10 μM) dose-dependently inhibits IL-13 secretion from basophils activated with IL-3 and PMA from human basophils. Desloratadine (10 μM) pretreatment results in a substantial decrease of the induced cytokine message in cultured basophils. Desloratadine (10 μM) pretreatment causes approximately an 80% reduction in the IL-4 message accumulated with anti-IgE activation in cultured basophils. Desloratadine (10 μM) also inhibits the histamine and IL-4 protein secreted into the supernatants of cultured basophils [2]. [3H]Desloratadine binds to the human histamine H1 receptor expressed in CHO cells with Kd of 1.1 nM. Desloratadine is 52, 57, 194, and 153 times more potent than cetirizine, ebastine, fexofenadine, and loratadine, respectively, in competition-binding studies [3]. Related Catalog Signaling Pathways >> GPCR/G Protein >> Histamine Receptor Signaling Pathways >> Immunology/Inflammation >> Histamine Receptor Research Areas >> Inflammation/Immunology References [1]. Geha, R.S. and E.O. Meltzer, Desloratadine: A new, nonsedating, oral antihistamine. J Allergy Clin Immunol, 2001. 107(4): p. 751-62. [2]. Schroeder, J.T., et al., Inhibition of cytokine generation and mediator release by human basophils treated with desloratadine. Clin Exp Allergy, 2001. 31(9): p. 1369-77. [3]. Anthes, J.C., et al., Biochemical characterization of desloratadine, a potent antagonist of the human histamine H(1) receptor. Eur J Pharmacol, 2002. 449(3): p. 229-37. Chemical & Physical Properties Density 1.2±0.1 g/cm3 Boiling Point 467.9±45.0 °C at 760 mmHg Melting Point 150-151°C Molecular Formula C19H19ClN2 Molecular Weight 310.821 Flash Point 236.8±28.7 °C Exact Mass 310.123688 PSA 24.92000 LogP 6.77 Vapour Pressure 0.0±1.2 mmHg at 25°C Index of Refraction 1.626 InChIKey JAUOIFJMECXRGI-UHFFFAOYSA-N SMILES Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1 Storage condition 2-8°C
Use ofProperties Name desloratadine Synonym More Synonyms Desloratadine Biological Activity Related Catalog Signaling Pathways >> GPCR/G Protein >> Histamine Receptor Signaling Pathways >> Immunology/Inflammation >> Histamine Receptor Research Areas >> Inflammation/Immunology References [1]. Geha, R.S. and E.O. Meltzer, Desloratadine: A new, nonsedating, oral antihistamine. J Allergy Clin Immunol, 2001. 107(4): p. 751-62. [2]. Schroeder, J.T., et al., Inhibition of cytokine generation and mediator release by human basophils treated with desloratadine. Clin Exp Allergy, 2001. 31(9): p. 1369-77. [3]. Anthes, J.C., et al., Biochemical characterization of desloratadine, a potent antagonist of the human histamine H(1) receptor. Eur J Pharmacol, 2002. 449(3): p. 229-37. Chemical & Physical Properties Exact Mass 310.123688 PSA 24.92000 Index of Refraction 1.626 InChIKey JAUOIFJMECXRGI-UHFFFAOYSA-N
Transport InfoProduct name: Purity: 98.0%
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available
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