CAS Number68844-77-9
SynonymsParalergin; 1-(4-fluorophenylmethyl)-N-{1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl}-1H-benzimidazol-2-amine; Hismanal(R); EINECS 272-441-9; Retolen; [3H]-Astemizole; Alermizol; Laridal; Astemison; Astemizolum; 1-[(4-fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine; Astemizol; Histaminos; Hismanal; 1-[(4-fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl]-1H-benzimidazole-2-amine
Molecular FormulaC28H31FN4O
Molecular Weight458.57
Purity≥98 (HPLC)%
Density1.2 g/cm3
Boiling Point627.3ºC at 760 mmHg
Melting Point172.9ºC
Appearancepowder
EINECS272-441-9
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 68844-77-9 |
| Catalog No. | 2A-9046908 |
| Chinese Name | 阿司咪唑 |
| Synonyms | Paralergin; 1-(4-fluorophenylmethyl)-N-{1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl}-1H-benzimidazol-2-amine; Hismanal(R); EINECS 272-441-9; Retolen; [3H]-Astemizole; Alermizol; Laridal; Astemison; Astemizolum; 1-[(4-fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine; Astemizol; Histaminos; Hismanal; 1-[(4-fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl]-1H-benzimidazole-2-amine |
| Molecular Formula | C28H31FN4O |
| Molecular Weight | 458.57 |
| Purity | ≥98 (HPLC) |
| Density | 1.2 g/cm3 |
| Boiling Point | 627.3ºC at 760 mmHg |
| Melting Point | 172.9ºC |
| Appearance | powder |
| Water Solubility | DMSO: >20mg/mL |
| Storage Condition | Store in an airtight container in a cool, dry plac |
| Application | Astemizole is a long-acting second-generation antihistamine drug, a commonly used anti-allergic drug, and an antagonist of histamine H1-receptor, with an IC50 value of 4 nM. Astemizole also has hERG K |
| EINECS | 272-441-9 |
| HTC | 2933990090 |
| PubChem ID | 329770802 |
| MDL Number | MFCD00153919 |
| SMILES | COc1ccc(CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(F)cc5)cc1 |
| InChI | 1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31) |
| InChI Key | GXDALQBWZGODGZ-UHFFFAOYSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 41121800 |
| MSDS | msds/46908_1_68844_77_9.pdf |
| Bioactivity | Astemizole, a second-generation antihistamine drug to diminish allergic symptoms with a long duration of action, is a histamine H1-receptor antagonist, with an IC50 of 4 nM. Astemizole also shows potent hERG K+ channel blocking activity with an IC50 of 0.9 nM. Astemizole has anticholinergic and antipruritic effects[1][2]. Related Catalog Signaling Pathways >> Immunology/Inflammation >> Histamine Receptor Research Areas >> Inflammation/Immunology Signaling Pathways >> Membrane Transporter/Ion Channel >> Potassium Channel Signaling Pathways >> GPCR/G Protein >> Histamine Receptor References [1]. Laduron PM, et al. In vitro and in vivo binding characteristics of a new long-acting histamine H1 antagonist, astemizole. Mol Pharmacol. 1982 Mar;21(2):294-300. [2]. Richards DM, et al. Astemizole. A review of its pharmacodynamic properties and therapeutic efficacy. Drugs. 1984 Jul;28(1):38-61. Chemical & Physical Properties Density 1.2 g/cm3 Boiling Point 627.3ºC at 760 mmHg Melting Point 172.9ºC Molecular Formula C28H31FN4O Molecular Weight 458.57 Flash Point 333.2ºC Exact Mass 458.24800 PSA 42.32000 LogP 5.36220 Index of Refraction 1.623 InChIKey GXDALQBWZGODGZ-UHFFFAOYSA-N SMILES COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 Water Solubility DMSO: >20mg/mL |
| Use of | Astemizole, a second-generation antihistamine drug to diminish allergic symptoms with a long duration of action, is a histamine H1-receptor antagonist, with an IC50 of 4 nM. Astemizole also shows potent hERG K+ channel blocking activity with an IC50 of 0.9 nM. Astemizole has anticholinergic and antipruritic effects[1][2]. Properties Articles46 Name astemizole Synonym More Synonyms Astemizole Biological Activity Description Astemizole, a second-generation antihistamine drug to diminish allergic symptoms with a long duration of action, is a histamine H1-receptor antagonist, with an IC50 of 4 nM. Astemizole also shows potent hERG K+ channel blocking activity with an IC50 of 0.9 nM. Astemizole has anticholinergic and antipruritic effects[1][2]. Related Catalog Signaling Pathways >> Immunology/Inflammation >> Histamine Receptor Research Areas >> Inflammation/Immunology Signaling Pathways >> Membrane Transporter/Ion Channel >> Potassium Channel Signaling Pathways >> GPCR/G Protein >> Histamine Receptor References [1]. Laduron PM, et al. In vitro and in vivo binding characteristics of a new long-acting histamine H1 antagonist, astemizole. Mol Pharmacol. 1982 Mar;21(2):294-300. [2]. Richards DM, et al. Astemizole. A review of its pharmacodynamic properties and therapeutic efficacy. Drugs. 1984 Jul;28(1):38-61. Chemical & Physical Properties Molecular Formula C28H31FN4O Exact Mass 458.24800 PSA 42.32000 LogP 5.36220 Index of Refraction 1.623 InChIKey GXDALQBWZGODGZ-UHFFFAOYSA-N |
| 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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