Chemical Property of Emedastine difumarate
Chemical Property:
- Vapor Pressure:3.59E-08mmHg at 25°C
- Melting Point:148-151°
- Boiling Point:446.6 ºC at 760 mmHg
- Flash Point:223.9 ºC°C
- PSA：182.73000
- LogP:1.64120
- Storage Temp.:2-8°C
- Solubility.:Soluble in water, sparingly soluble in anhydrous ethanol, very slightly soluble in acetone.
- Hydrogen Bond Donor Count:4
- Hydrogen Bond Acceptor Count:12
- Rotatable Bond Count:9
- Exact Mass:534.23257867
- Heavy Atom Count:38
- Complexity:460
- Purity/Quality:
-
98% *data from raw suppliers
EmedastineDifumerate *data from reagent suppliers
Safty Information:
- Pictogram(s):
A poison by ingestion.
- Hazard Codes:A poison by ingestion.
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CCOCCN1C2=CC=CC=C2N=C1N3CCCN(CC3)C.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O
- Isomeric SMILES:CCOCCN1C(=NC2=CC=CC=C12)N3CCN(CCC3)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
- Recent NIPH Clinical Trials:Single dose pharmacokinetic study of HP-3060
-
Description
Emedastine difumarate, a potent H1-receptor antagonist, was launched in Japan for the
treatment of allergic rhinitis and urticaria. Emedastine exerts its antiallergic effect via
inhibition of substance P-induced histamine release. It has been demonstrated both in vitro
and in vivo that this effect is mediated by the inhibition of Ca2+release from extracellular
stores and of Ca2+ influx into mast cells. In a clinical trial with bronchial asthma, emedastine
improved asthmatic symptoms in 55.3% of patients. Emedastine is a histamine H1 receptor antagonist (Ki = 1.3 nM). It is selective for histamine H1 over H2 and H3 receptors (Kis = 49 and 12.43 μM, respectively), as well as α1-, α2-, and β1-adrenergic and dopamine D1 and D2 receptors, and the serotonin (5-HT) receptor subtypes 5-HT1 and 5-HT2 at 10 μM. Emedastine inhibits histamine-induced phosphoinositide turnover and intracellular calcium mobilization in primary human conjunctival epithelial cells (HCECs; IC50s = 1.6 and 2.9 nM, respectively). It also inhibits histamine-stimulated secretion of IL-6, IL-8, and GM-CSF by primary HCECs (IC50s = 2.23, 3.42, and 1.50 nM, respectively). Ocular application of emedastine prior to histamine challenge inhibits vascular permeability in guinea pigs. Formulations containing emedastine have been used in the treatment of allergic conjunctivitis.
