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EMEDASTINE FUMARATE structure, CAS 87233-62-3

EMEDASTINE FUMARATE

CAS Number87233-62-3

Synonyms1-(2-Ethoxyethyl)-2-(4-methyl-1-homopiperazinyl)benzimidazole Difumarate; (E)-but-2-enedioic acid,1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazole; Emedastine

Molecular FormulaC25H34N4O9

Molecular Weight534.56

Purity97%

Density

Boiling Point446.6ºC at 760 mmHg

Melting Point148-151°

Flash Point

Appearance

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Cat. No.: 2A-9094014 Purity: 97%
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Quality Control of [ 87233-62-3 ] Purity: 97% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number87233-62-3
Catalog No.2A-9094014
Chinese Name富马酸依美斯汀
Synonyms1-(2-Ethoxyethyl)-2-(4-methyl-1-homopiperazinyl)benzimidazole Difumarate; (E)-but-2-enedioic acid,1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazole; Emedastine
Molecular FormulaC25H34N4O9
Molecular Weight534.56
Purity97
Boiling Point446.6ºC at 760 mmHg
Melting Point148-151°
Water SolubilitySoluble in water, sparingly soluble in anhydrous e
Storage Condition2-8°C
ApplicationEmedastine difumarate is an orally active, selective and high-affinity histamine H1 receptor antagonist with a Ki of 1.3 nM. Emedastine difumarate is a benzimidazole derivative with potent anti-allerg
HTC2933990090
PubChem ID7849308
SMILESCCOCCn1c(N2CCCN(C)CC2)nc2ccccc21.O=C(O)C=CC(=O)O.O=C(O)C=CC(=O)O
InChIInChI=1S/C17H26N4O.2C4H4O4/c1-3-22-14-13-21-16-8-5-4-7-15(16)18-17(21)20-10-6-9-19(2)11-12-20;2*5-3(6)1-2-4(7)8/h4-5,7-8H,3,6,9-14H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+
InChI KeyFWLKKPKZQYVAFR-LVEZLNDCSA-N
BioactivityEmedastine difumarate is an orally active, selective and high affinity histamine H1 receptor antagonist with a Ki value of 1.3 nM. Emedastine difumarate is a benzimidazole derivative with potent antiallergic properties and used for allergic rhinitis, allergic skin diseases and allergic conjunctivitis[1][2][3]. Related Catalog Signaling Pathways >> Immunology/Inflammation >> Histamine Receptor Research Areas >> Inflammation/Immunology Signaling Pathways >> GPCR/G Protein >> Histamine Receptor Target H1 Receptor:1.3 nM (Ki) H2 Receptor:49067 nM (Ki) H3 Receptor:12430 nM (Ki) In Vitro Emedastine difumarate inhibits histamine H2 receptor (Ki=49067 nM) and histamine H3 receptor (Ki=12430 nM)[1]. High concentrations of Emedastine difumarate (1 and 10 ng/ml) significantly inhibits type 1 collagen production in normal human dermal fibroblasts[2]. Emedastine difumarate (1, 10, 100, 1000 nM) at concentrations of ≥ 10 nM inhibits CC chemokine-elicited eosinophil migration[2]. In Vivo Emedastine difumarate (0.03, 0.1, 0.3 mg/kg; orally; pretreatment of 30 min) significantly suppresses histamine-induced scratching with 0.1 and 0.3 mg/kg but not 0.03 mg/kg[3]. Pretreatment with Emedastine difumarate (0.03, 0.1, 0.3 mg/kg; orally) significantly inhibits the scratching induced by substance P and leukotriene B[3]. Emedastine difumarate (0.3 mg/kg, p.o.) produces significant inhibition of passive peritoneal anaphylaxis in guinea-pigs[2]. Emedastine difumarate inhibits histamine-induced contractions of isolated ileum (IC50=6.1 nM)[2]. Animal Model: Male ICR mice 5-6 weeks of age[3] Dosage: 0.03, 0.1, 0.3 mg/kg Administration: Orally; 30 min before pruritogen injection Result: Significantly suppressed histamine-induced scratching with pretreatment of 0.1 and 0.3 mg/kg. References [1]. Sharif NA, et al. Emedastine: a potent, high affinity histamine H1-receptor-selective antagonist for ocular use: receptor binding and second messenger studies. J Ocul Pharmacol. 1994 Winter;10(4):653-64. [2]. Murota H, et al. Emedastine difumarate: a review of its potential ameliorating effect for tissue remodeling in allergic diseases. Expert Opin Pharmacother. 2009 Aug;10(11):1859-67. [3]. Andoh T, et al. Involvement of blockade of leukotriene B(4) action in anti-pruritic effects of emedastine in mice. Eur J Pharmacol. 2000 Oct 6;406(1):149-52. Chemical & Physical Properties Boiling Point 446.6ºC at 760 mmHg Melting Point 148-151° Molecular Formula C25H34N4O9 Molecular Weight 534.55900 Exact Mass 534.23300 PSA 182.73000 LogP 1.64120 InChIKey FWLKKPKZQYVAFR-LVEZLNDCSA-N SMILES CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21.O=C(O)C=CC(=O)O.O=C(O)C=CC(=O)O Storage condition 2-8°C Water Solubility Soluble in water, sparingly soluble in anhydrous ethanol, very slightly soluble in acetone.
Use ofEmedastine difumarate is an orally active, selective and high affinity histamine H1 receptor antagonist with a Ki value of 1.3 nM. Emedastine difumarate is a benzimidazole derivative with potent antiallergic properties and used for allergic rhinitis, allergic skin diseases and allergic conjunctivitis[1][2][3]. Properties Articles25 Name emedastine difumarate Synonym More Synonyms emedastine fumarate Biological Activity Description Emedastine difumarate is an orally active, selective and high affinity histamine H1 receptor antagonist with a Ki value of 1.3 nM. Emedastine difumarate is a benzimidazole derivative with potent antiallergic properties and used for allergic rhinitis, allergic skin diseases and allergic conjunctivitis[1][2][3]. Related Catalog Signaling Pathways >> Immunology/Inflammation >> Histamine Receptor Research Areas >> Inflammation/Immunology Signaling Pathways >> GPCR/G Protein >> Histamine Receptor H1 Receptor:1.3 nM (Ki) H2 Receptor:49067 nM (Ki) H3 Receptor:12430 nM (Ki) References [1]. Sharif NA, et al. Emedastine: a potent, high affinity histamine H1-receptor-selective antagonist for ocular use: receptor binding and second messenger studies. J Ocul Pharmacol. 1994 Winter;10(4):653-64. [2]. Murota H, et al. Emedastine difumarate: a review of its potential ameliorating effect for tissue remodeling in allergic diseases. Expert Opin Pharmacother. 2009 Aug;10(11):1859-67. [3]. Andoh T, et al. Involvement of blockade of leukotriene B(4) action in anti-pruritic effects of emedastine in mice. Eur J Pharmacol. 2000 Oct 6;406(1):149-52. Chemical & Physical Properties Molecular Formula C25H34N4O9 Exact Mass 534.23300 PSA 182.73000 LogP 1.64120 InChIKey FWLKKPKZQYVAFR-LVEZLNDCSA-N Water Solubility Soluble in water, sparingly soluble in anhydrous ethanol, very slightly soluble in acetone.
Tax Rebate13.0%
SupervisionNone. MFN tariff: 6.5%. Ordinary tariff: 20.0%
Transport InfoProduct name: Purity: 98.0%
MSDS Transport InfoModule 14. Shipping information United Nations classification: inconsistent with United Nations classification standards UN number: not specified
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