CAS Number87233-61-2
SynonymsEmedastine; 1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1H-benzo[d]imidazole; Emadine; Emedastina [INN-Spanish]; AL 3432A; Emedastina; 1-methyl-4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl)[1,4]diazepane; 1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazole; 1-(2-Ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole; emedastinum [INN_la]; Rapimine; 1-(2-Ethoxyethyl)-2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-1H-benzimidazole; 1-[2-(Ethoxy)ethyl]-2-(4-methyl-1-homopiperazinyl)benzimidazole; Emedastine [INN]; Emedastinum; UNII-9J1H7Y9OJV; MFCD00865647; Emedastinum [INN-Latin]
Molecular FormulaC17H26O1N4
Molecular Weight302.42
Purity98%
Density1.2±0.1 g/cm3
Boiling Point446.6±55.0 °C at 760 mmHg
Melting Point148-151ºC
Appearancepowder
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 87233-61-2 |
| Catalog No. | 2A-9010305 |
| Chinese Name | 依美司丁 |
| Synonyms | Emedastine; 1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1H-benzo[d]imidazole; Emadine; Emedastina [INN-Spanish]; AL 3432A; Emedastina; 1-methyl-4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl)[1,4]diazepane; 1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazole; 1-(2-Ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole; emedastinum [INN_la]; Rapimine; 1-(2-Ethoxyethyl)-2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-1H-benzimidazole; 1-[2-(Ethoxy)ethyl]-2-(4-methyl-1-homopiperazinyl)benzimidazole; Emedastine [INN]; Emedastinum; UNII-9J1H7Y9OJV; MFCD00865647; Emedastinum [INN-Latin] |
| Molecular Formula | C17H26O1N4 |
| Molecular Weight | 302.42 |
| Purity | 98 |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 446.6±55.0 °C at 760 mmHg |
| Melting Point | 148-151ºC |
| Appearance | powder |
| Storage Condition | -20℃ |
| Application | Emedastine is an orally active, selective and high-affinity histamine H1 receptor antagonist with a Ki of 1.3 nM. Emedastine is a benzimidazole derivative with potent anti-allergic properties and is u |
| HTC | 2933990090 |
| MDL Number | MFCD00865647 |
| SMILES | CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21 |
| InChI | InChI=1S/C17H26N4O.C4H4O4/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;5-3(6)1-2-4(7)8/h4-5,7-8H,3,6,9-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1- |
| InChI Key | KBUZBQVCBVDWKX-UHFFFAOYSA-N |
| MSDS | msds/10305_1_87233_61_2.pdf |
| Use of | Emedastine is an orally active, selective and high affinity histamine H1 receptor antagonist with a Ki value of 1.3 nM. Emedastine is a benzimidazole derivative with potent antiallergic properties and used for allergic rhinitis, allergic skin diseases and allergic conjunctivitis[1][2][3]. Properties Name emedastine Synonym More Synonyms Emedastine Biological Activity Description Emedastine is an orally active, selective and high affinity histamine H1 receptor antagonist with a Ki value of 1.3 nM. Emedastine 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 C17H26N4O Exact Mass 302.210663 PSA 33.53000 Index of Refraction 1.595 InChIKey KBUZBQVCBVDWKX-UHFFFAOYSA-N Storage condition -20℃ Safety Information HS Code 2933990090 Synthetic Route 1-Methyl-1,4-di... CAS#:4318-37-0 2-CHLORO-1-(2-E... CAS#:87233-54-3 Emedastine CAS#:87233-61-2 Literature: Iemura; Kawashima; Fukuda; Ito; Tsukamoto Journal of Medicinal Chemistry, 1986 , vol. 29, # 7 p. 1178 - 1183 2-Nitrochlorobenzene CAS#:88-73-3 Emedastine CAS#:87233-61-2 Literature: Journal of Medicinal Chemistry, , vol. 29, # 7 p. 1178 - 1183 N-(2-ethoxyethy... CAS#:95893-88-2 Emedastine CAS#:87233-61-2 Literature: Journal of Medicinal Chemistry, , vol. 29, # 7 p. 1178 - 1183 Precursor & DownStream Precursor 6 CAS#:4318-37-0 1-Methyl-1,4-di... CAS#:87233-54-3 2-CHLORO-1-(2-E... CAS#:88-73-3 2-Nitrochlorobenzene CAS#:95893-88-2 N-(2-ethoxyethy... DownStream 0 |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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