Emedastine (BioDeep_00000006602)

human metabolite blood metabolite Chemicals and Drugs

代谢物信息卡片

1-(2-Ethoxyethyl)-2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)benzimidazole

化学式: C17H26N4O (302.2106506)
中文名称: 依美司丁
谱图信息: 最多检出来源 Viridiplantae(plant) 22.22%

分子结构信息

SMILES: CCOCCN1C(=NC2=CC=CC=C12)N1CCCN(C)CC1
InChI: InChI=1S/C17H26N4O/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/h4-5,7-8H,3,6,9-14H2,1-2H3

描述信息

Emedastine is only found in individuals that have used or taken this drug. It is an antihistamine used in eye drops to treat allergic conjunctivitis. [Wikipedia]Emedastine is a relatively selective, histamine H₁ antagonist. In vitro examinations of emedastines affinity for histamine receptors demonstrate relative selectivity for the H₁ histamine receptor. In vivo studies have shown concentration-dependent inhibition of histamine-stimulated vascular permeability in the conjunctiva following topical ocular administration. Emedastine appears to be devoid of effects on adrenergic, dopaminergic and serotonin receptors.
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists
S - Sensory organs > S01 - Ophthalmologicals > S01G - Decongestants and antiallergics
C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
D018926 - Anti-Allergic Agents
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].

同义名列表

10 个代谢物同义名

1-(2-Ethoxyethyl)-2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)benzimidazole; 1-(2-Ethoxyethyl)-2-(4-methyl-1-homopiperazinyl)benzimidazole difumarate; 1-(2-Ethoxy-ethyl)-2-(4-methyl-[1,4]diazepan-1-yl)-1H-benzoimidazole; 1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1H-1,3-benzodiazole; 1-[2-(Ethoxy)ethyl]-2-(4-methyl-1-homopiperazinyl)benzimidazole; Emedastine difumarate; Emedastinum; emedastine; Emedastina; Emadine

数据库引用编号

17 个数据库交叉引用编号

ChEBI: CHEBI:4779
KEGG: C07785
KEGGdrug: D81889
KEGGdrug: D07890
PubChem: 3219
HMDB: HMDB0015216
Metlin: METLIN4008
DrugBank: DB01084
ChEMBL: CHEMBL594
Wikipedia: Emedastine
chemspider: 3106
CAS: 87233-61-2
PMhub: MS000019668
PubChem: 9987
NIKKAJI: J253.163A
RefMet: Emedastine
medchemexpress: HY-108411

分类词条

代谢反应

0 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(0)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

1 个相关的物种来源信息

9606 - Homo sapiens: -

在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有：

PubMed: 来源于PubMed文献库中的文献信息，我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表，这个列表按照代谢物同时出现的文献数量降序排序，取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
NCBI Taxonomy: 通过文献数据挖掘，得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序，取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
Chemical Reaction: 在化学反应过程中，存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。

点击图上的相关代谢物的名称，可以跳转到相关代谢物的信息页面。

文献列表

Jumpei Saito, Naho Yakuwa, Aiko Sasaki, Hiroyo Kawasaki, Tomo Suzuki, Akimasa Yamatani, Haruhiko Sago, Atsuko Murashima. Emedastine During Pregnancy and Lactation: Emedastine Levels in Maternal Serum, Cord Blood, Breast Milk, and Neonatal Serum. Breastfeeding medicine : the official journal of the Academy of Breastfeeding Medicine. 2020 12; 15(12):809-812. doi: 10.1089/bfm.2020.0249. [PMID: 33035080]
Norifumi Tanida, Katsuhiko Akiyama, Takaaki Terahara. [Pharmacological profile and clinical efficacy of transdermal patch containing emedastine difumarate (ALLESAGA® TAPE)]. Nihon yakurigaku zasshi. Folia pharmacologica Japonica. 2018; 152(5):246-255. doi: 10.1254/fpj.152.246. [PMID: 30393257]
Najeeb-ur-Rehman, Malik Hassan Mehmood, Adnan J Al-Rehaily, Ramzi A A Mothana, Anwar H Gilani. Species and tissue-specificity of prokinetic, laxative and spasmodic effects of Fumaria parviflora. BMC complementary and alternative medicine. 2012 Mar; 12(?):16. doi: 10.1186/1472-6882-12-16. [PMID: 22405321]
Yuan Tian, Zunjian Zhang, Jiabi Liang, Wei Li, Yun Chen. High-performance liquid chromatography-electrospray ionization-mass spectrometric determination of emedastine difumarate in human plasma and its pharmacokinetics. Journal of chromatographic science. 2007 Mar; 45(3):158-64. doi: 10.1093/chromsci/45.3.158. [PMID: 17462131]
Ryoichi Morita, Ritsuko Honda, Yoshiteru Takahashi. Development of a new dissolution test method for an oral controlled release preparation, the PVA swelling controlled release system (SCRS). Journal of controlled release : official journal of the Controlled Release Society. 2003 Jun; 90(1):109-17. doi: 10.1016/s0168-3659(03)00161-5. [PMID: 12767711]
C Blondin, B Cholley, N Haeffner-Cavaillon, P Goldschmidt. [In vitro effects of antiallergic eyedrops on complement activation induced by particulate matter]. Journal francais d'ophtalmologie. 2003 Apr; 26(4):328-36. doi: . [PMID: 12843888]
M Brunner, K Kletter, A Assandri, M Ermanno Corrado, H G Eichler, M Müller. Pharmacokinetic and mass balance study of unlabelled and (14)C-labelled emedastine difumarate in healthy volunteers. Xenobiotica; the fate of foreign compounds in biological systems. 2002 Sep; 32(9):761-70. doi: 10.1080/00498250210143001. [PMID: 12396273]
Toshiaki Takizawa, Naoki Kawada, Hiroyuki Tanaka, Hiroichi Nagai. Effect of antiallergic drugs on interleukin 5-induced eosinophil infiltration of rat airways. Biological & pharmaceutical bulletin. 2002 Mar; 25(3):318-22. doi: 10.1248/bpb.25.318. [PMID: 11913525]
C Joukhadar, U Herranz, T Pernerstorfer, A Assandri, N Klein, C Schrolnberger, E Lackner, H G Eichler, M Müller. Pharmacokinetics of emedastine difumarate, a new anti-histaminic agent in patients with renal impairment. European journal of clinical pharmacology. 2001 Mar; 56(12):905-10. doi: 10.1007/s002280000256. [PMID: 11317479]
R Morita, R Honda, Y Takahashi. Development of oral controlled release preparations, a PVA swelling controlled release system (SCRS). II. In vitro and in vivo evaluation. Journal of controlled release : official journal of the Controlled Release Society. 2000 Jul; 68(1):115-20. doi: 10.1016/s0168-3659(00)00244-3. [PMID: 10884584]
Y Wada, T Hamada, T Kawashima, N Awata. [In vitro metabolism of an antiallergic agent, emedastine difumarate, in rats and guinea pigs]. Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan. 1990 Jan; 110(1):40-8. doi: 10.1248/yakushi1947.110.1_40. [PMID: 1972410]
T Hamada, T Kawashima, N Awata. [Selective and sensitive determination of an antiallergic agent, emedastine difumarate (KG-2413), in human plasma by the radioreceptor assay combined with a high-performance liquid chromatography]. Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan. 1989 Oct; 109(10):749-54. doi: 10.1248/yakushi1947.109.10_749. [PMID: 2576060]
T Sakai, T Hamada, N Awata, J Watanabe. Pharmacokinetics of an antiallergic agent, 1-(2-ethoxyethyl)-2-(hexahydro-4-methyl-1H-1, 4-diazepin-1-yl)-1H-benzimidazole difumarate (KG-2413) after oral administration: interspecies differences in rats, guinea pigs and dogs. Journal of pharmacobio-dynamics. 1989 Sep; 12(9):530-6. doi: 10.1248/bpb1978.12.530. [PMID: 2575663]
T Hamada, T Kawashima, N Awata. [Cross-reactivities of active metabolites in the radioreceptor assay of an antiallergic agent, 1-(2-ethoxyethyl)-2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)- 1H-benzimidazole difumarate (KG-2413)]. Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan. 1989 Jul; 109(7):474-9. doi: 10.1248/yakushi1947.109.7_474. [PMID: 2573721]
N Awata, H Takahashi, K Noumi, T Sakai, T Hamada. [Identification of the metabolites of an antiallergic agent, 1-(2-ethoxyethyl)-2-(hexahydro-4-methyl-1H-1,4-diazepine-1-yl)-1H- benzimidazole difumarate (KG-2413), in rats]. Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan. 1989 May; 109(5):318-28. doi: 10.1248/yakushi1947.109.5_318. [PMID: 2576283]
R Iemura, M Hori, H Ohtaka. Syntheses of the metabolites of 1-(2-ethoxyethyl)-2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-1H benzimidazole difumarate (KG-2413) and related compounds. Chemical & pharmaceutical bulletin. 1989 Apr; 37(4):962-6. doi: 10.1248/cpb.37.962. [PMID: 2569942]
T Sakai, T Hamada, N Awata, J Watanabe. Interspecies differences in pharmacokinetics of an antiallergic agent, 1-(2-ethoxyethyl)-2-(hexahydro-4-methyl-1,4-diazepin-1-yl) benzimidazole difumarate (KG-2413) after intravenous administration to rats, guinea pigs and dogs. Chemical & pharmaceutical bulletin. 1989 Mar; 37(3):753-6. doi: 10.1248/cpb.37.753. [PMID: 2568892]
T Sakai, T Hamada, N Awata, J Watanabe. Binding of 1-(2-ethoxyethyl)-2-(hexahydro-4-methyl-1, 4-diazepin-1-yl) benzimidazole difumarate (KG-2413) to serum or plasma proteins in man, guinea pig and rat. Journal of pharmacobio-dynamics. 1988 Apr; 11(4):262-7. doi: 10.1248/bpb1978.11.262. [PMID: 3411441]
T Saito, T Fukuda, S Tajima, T Sukamoto, A Yamashita, T Kanazawa, Y Morimoto, K Shimohara, N Nishimura, K Yokota. General pharmacology of 1-(2-ethoxyethyl)-2-(4-methyl-1-homopiperazinyl)benzimidazole difumarate. 2nd communication: Effects on the circulation and the other systems. Arzneimittel-Forschung. 1988 Feb; 38(2):267-72. doi: NULL. [PMID: 2897196]
T Hamada, M Kadowaki, N Awata. Radioreceptor assay for a new antiallergic agent, 1-(2-ethoxyethyl)-2-(4-methyl-1-homopiperazinyl)benzimidazole difumarate (KB-2413), in plasma. Chemical & pharmaceutical bulletin. 1987 Aug; 35(8):3329-35. doi: 10.1248/cpb.35.3329. [PMID: 2892589]
T Saito, N Nishimura, S Tajima, T Fukuda, K Ito. [Anti-allergic effects of 1-(2-ethoxyethyl)-2-(4-methyl-1-homopiperazinyl)benzimidazole fumarate (KB-2413)]. Nihon yakurigaku zasshi. Folia pharmacologica Japonica. 1987 Feb; 89(2):55-62. doi: 10.1254/fpj.89.55. [PMID: 2883094]
N Nishimura, K Ito, H Tomioka, S Yoshida. Inhibition of chemical mediator release from human leukocytes and lung in vitro by a novel antiallergic agent, KB-2413. Immunopharmacology and immunotoxicology. 1987; 9(4):511-21. doi: 10.3109/08923978709035229. [PMID: 2449488]
T Hamada, M Kadowaki, Y Nakamura, N Awata. Determination of the antiallergic agent KB-2413 in plasma by means of capillary gas chromatography with a nitrogen-sensitive detector. Chemical & pharmaceutical bulletin. 1986 Mar; 34(3):1168-71. doi: 10.1248/cpb.34.1168. [PMID: 2873900]
T Fukuda, T Saito, S Tajima, K Shimohara, K Ito. Antiallergic effect of 1-(2-ethoxyethyl)-2-(4-methyl-1-homopiperazinyl)benzimidaz ole difumarate (KB-2413). Arzneimittel-Forschung. 1984; 34(7):805-10. doi: NULL. [PMID: 6208915]
M Sano. Subcellular localizations of guanylate cyclase and 3',5'-cyclic nucleotide phosphodiesterase in sea urchin sperm. Biochimica et biophysica acta. 1976 Apr; 428(2):525-31. doi: 10.1016/0304-4165(76)90061-1. [PMID: 6049]