Emedastine

HCID 3219CAS 87233-61-2

기본 정보

표준 SMILES
CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21
InChIKey
KBUZBQVCBVDWKX-UHFFFAOYSA-N
분자식
C17H26N4O
평균 분자량
302.4 g/mol
단동위원소 질량
302.21066145

개요

Emedastine is 1-Methyl-1,4-diazepane in which the hydrogen attached to the nitrogen at position 4 is substituted by a 1-(2-ethoxyethyl)-1H-benzimidazol-2-yl group. A relatively selective histamine H1 antagonist, it is used as the difumatate salt for allergic rhinitis, urticaria, and pruritic skin disorders, and in eyedrops for the symptomatic relief of allergic conjuntivitis. It has a role as a H1-receptor antagonist, an anti-allergic agent and an antipruritic drug.

이름 및 식별자

우선 이름
Emedastine
IUPAC
1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazole
영어명
Emedastine
분자식
C17H26N4O
분자량
302.41

이름 및 동의어

emedastine87233-61-2EmedastinaEmedastinum1-(2-Ethoxyethyl)-2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)benzimidazole9J1H7Y9OJV1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1H-1,3-benzodiazole1-[2-(ethoxy)ethyl]-2-(4-methyl-1-homopiperazinyl)benzimidazoleCHEBI:4779DTXSID70482431-(2-Ethoxy-ethyl)-2-(4-methyl-[1,4]diazepan-1-yl)-1H-benzoimidazole1H-Benzimidazole, 1-(2-ethoxyethyl)-2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-
이름 더 보기
EmestineEmedastine impurity FEmedastinc Impurity CEmedastine Impurity CEmedastine Impurity 14Emedastine, 10 mM in DMSO1-(2-Ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazole1-(2-Ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole
KG 24131-(2-(ethoxy)ethyl)-2-(4-methyl-1-homopiperazinyl)benzimidazole1-(2-Ethoxy-ethyl)-2-(4-methyl-(1,4)diazepan-1-yl)-1H-benzoimidazoleRefChem:590745DTXCID8028218S01GX06Emedastine [INN]Emedastinum [INN-Latin]

데이터베이스 식별자

CAS
87233-61-2
PubChem CID
3219
DTXSID
DTXSID7048243
ChEMBL
CHEMBL594
ChEBI
CHEBI:4779
UNII
9J1H7Y9OJV
Nikkaji
J253.163A

물성

구조 계산 물성

XLogP
2.2
극성 표면적
33.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
5
무거운 원자 수
22

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15
LogP2.6
Solubility · 2건

Soluble (difumarate formulation)

1.44e+00 g/L

Human Drugs · 2건

Breast Feeding; Lactation; Milk, Human; Antihistamines

EMA approved medicines: Human medicine

Physical DescriptionSolid

물리화학적 성질

끓는 점
446.6 · 446.6±55.0 °C(Predicted)
밀도
1.15 · 1.15±0.1 g/cm3(Predicted)
저장 조건
2 · 2-8°C
용해도
125 mg/mL · DMSO: 125 mg/mL (413.35 mM); Ethanol: 100 mg/mL (330.68 mM)
산도 계수 (pKa)
8.86 · 8.86±0.10(Predicted)
물리적 상태
Viscous Liquid

안전 및 규제

독성 정보

Effects During Pregnancy and Lactation◉ Summary of Use during Lactation

화학 및 산업

약리 정보

ATC Code · 3건

S01GX06

S - Sensory organs

QS - Sensory organs

PharmacodynamicsEmedastine is a relatively selective H<sub>1</sub>-receptor antagonist.
Mechanism of Action · 1건

Emedastine is a relatively selective, histamine H<sub>1</sub> antagonist. In vitro examinations of emedastine's affinity for histamine receptors demonstrate relative selectivity for the H<sub>1</sub> histamine receptor. In vivo studies have shown concentration-dependent inhibition of histamine-stimulated vascular permeability in the conjunctiva following topical ocular administration. Emedastine appears exert negligible effects on adrenergic, dopaminergic and serotonin receptors.

Biological Half-LifeThe elimination half-life in the plasma is 3-4 hours following oral administration.
Metabolism/MetabolitesTwo primary metabolites, 5-hydroxyemedastine and 6-hydroxyemedastine, are excreted in the urine as both free and conjugated forms. Minor metabolites include the 5'-oxoanalogs of 5-hydroxyemedastine and 6-hydroxy-emedastine and the N-oxide.
FDA Pharmacological Classification · 5건

9J1H7Y9OJV

EMEDASTINE

Mechanisms of Action [MoA] - Histamine H1 Receptor Antagonists

Established Pharmacologic Class [EPC] - Histamine-1 Receptor Inhibitor

Emedastine is a Histamine-1 Receptor Inhibitor. The mechanism of action of emedastine is as a Histamine H1 Receptor Antagonist.

응용 분야

용도Antihistaminic, H1-receptor; asthma prophylactic; anti-allergic.

공급사50 곳

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
추가 설명 · 1건

정의ChEBI: 1-Methyl-1,4-diazepane in which the hydrogen attached to the nitrogen at position 4 is substituted by a 1-(2-ethoxyethyl)-1H-benzimidazol-2-yl group. A relatively selective histamine H1 antagonist, it is used as the ifumatate salt for allergic rhinitis, urticaria, and pruritic skin disorders, and in eyedrops for the symptomatic relief of allergic conjuntivitis.

관련 반응

10건

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