基本情報
- CAS
87233-62-3- 標準SMILES
CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O- InChIKey
FWLKKPKZQYVAFR-LVEZLNDCSA-N- 分子式
- C25H34N4O9
- 平均分子量
- 534.6 g/mol
- 単同位体質量
- 534.23257867
概要
Emedastine Difumarate is the difumarate salt form of emedastine, a second generation, selective histamine H1 receptor antagonist with anti-allergic activity. Emedastine reversibly and competitively blocks histamine by binding to H1 receptors, thus blocking its downstream activity. As a result, this agent interferes with mediator release from mast cells either by inhibiting calcium ion influx across mast cell/basophil plasma membrane or by inhibiting intracellular calcium ion release within the cells. In addition, emedastine may also inhibit the late-phase allergic reaction mediated through leukotrienes or prostaglandins, or by producing an anti-platelet activating factor effect. Upon ocular administration, emedastine causes a dose-dependent inhibition of histamine-stimulated vascular permeability in the conjunctiva. Emedastine does not affect adrenergic, dopamine, or serotonin receptors.
名称と識別子
- 優先名称
- Emedastine Difumarate
- IUPAC
- bis((E)-but-2-enedioic acid);1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazole
- 現地名
- エメダスチンジフマル酸塩
- 英語名
- EMEDASTINE FUMARATE
- 分子式
- C25H34N4O9
- 分子量
- 534.56
名称と別名
Emedastine difumarate87233-62-3Emedastine fumarateRapimineDTXSID2046911AL-3432A42MB94QOSMLY-1886951-(2-Ethoxyethyl)-2-(4-methyl-1-homopiperazinyl)benzimidazole difumarateLY188695DTXCID00269111-(2-Ethoxyethyl)-2-(4-methylhexahydro-1H-1,4-diazepin-1-yl)benzimidazole fumarate (1:2)
名称をさらに表示
エメロミンエメダスチンフマル酸塩エメダスチンジフマラート1-(2-エトキシエチル)-2-[(ヘキサヒドロ-4-メチル-1H-1,4-ジアゼピン)-1-イル]-1H-ベンゾイミダゾール·2[(E)-2-ブテン二酸]フマル酸エメダスチン1-(2-エトキシエチル)-2-(4-メチル-1,4-ペルヒドロジアゼピン-1-イル)-1H-ベンゾイミダゾール=ニフマル酸塩1-(2-エトキシエチル)-2-(4-メチルヘキサヒドロ-1H-1,4-ジアゼピン-1-イル)-1H-ベンゾイミダゾール·ビスフマル酸塩レミカットダレンエメダスチン二フマル酸塩1-(2-エトキシエチル)-2-(4-メチル-1-ホモピペラジニル)ベンゾイミダゾール二フマル酸塩エメダスチンジフマル酸塩二フマル酸エメダスチンエメダスチンフマル酸塩 (JP17)1-(2-エトキシエチル)-2-(4-メチルヘキサヒドロ-1H-1,4-ジアゼピン-1-イル)-1H-ベンゾイミダゾール・ビスフマル酸塩1-(2-エトキシエチル)-2-[(ヘキサヒドロ-4-メチル-1H-1,4-ジアゼピン)-1-イル]-1H-ベンゾイミダゾール・2[(E)-2-ブテン二酸]
物性
構造計算による物性
- 極性表面積
- 183 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 12
- 回転可能結合数
- 9
- 重原子数
- 38
- 形式電荷
- 0
- 複雑度
- 460
実験および物理化学的性質
Human Drugs
FDA approved drugs -> Active ingredient
EMA approved medicines: Human medicine
FDA approved drugs -> Active ingredient
物理化学的性質
- 融点
- 148 · 148-151°
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- 水に溶けやすく、無水エタノールにやや溶けにくく、アセトンに極めて溶けにくい。
- Merck
- 14 · 14,3557
- 主な用途
- 医薬品（低分子化合物）
- InChIKey
- FWLKKPKZQYVAFR-LVEZLNDCSA-N
- SMILES
- C1(=NC2C=CC=CC=2N1CCOCC)N1CCN(C)CCC1.C(/C(=O)O)=C\C(=O)O.C(/C(=O)O)=C\C(=O)O
化学的性質
化学的特性White or yellowish powder
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 4 (100%)
安全データ
- wgk
- WGK 3
- rtecs
- DD8870000
- 毒性
- LD50 orally in guinea pigs: 744 mg/kg (Fukuda)
- hs_code
- 2933992600
- Hazard Classifications
- Acute Tox. 4 Oral
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
MeSH Pharmacological Classification
Drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine. Included here are the classical antihistaminics that antagonize or prevent the action of histamine mainly in immediate hypersensitivity. They act in the bronchi, capillaries, and some other smooth muscles, and are used to prevent or allay motion sickness, seasonal rhinitis, and allergic dermatitis and to induce somnolence. The effects of blocking central nervous system H1 receptors are not as well understood.
Agents that are used to treat allergic reactions. Most of these drugs act by preventing the release of inflammatory mediators or inhibiting the actions of released mediators on their target cells. (From AMA Drug Evaluations Annual, 1994, p475)
応用分野
用途抗ヒスタミン作用を示します。
説明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.
使用Antihistaminic, H1-receptor; asthma prophylactic; anti-allergic.
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上流原料
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