テメラスチン

Temelastine

HCID 55482CAS 86181-42-2

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1ccc(Cc2cnc(NCCCCc3ncc(Br)cc3C)[nH]c2=O)cn1
InChIKey: OGEAASSLWZDQBM-UHFFFAOYSA-N
分子式: C21H24BrN5O
平均分子量: 442.4 g/mol
単同位体質量: 441.11642249

概要

Temelastine is a pyrimidone.

名称と識別子

優先名称: Temelastine
IUPAC: 2-[4-(5-bromo-3-methyl-2-pyridinyl)butylamino]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one
現地名: テメラスチン
英語名: Temelastine
分子式: C21H24BrN5O
分子量: 442.359

名称と別名

TEMELASTINE86181-42-2TemelastinaTemelastinumSK&F 93944SK&F-93944BF6IGI53XHDTXSID602354374(1H)-Pyrimidinone, 2-((4-(5-bromo-3-methyl-2-pyridinyl)butyl)amino)-5-((6-methyl-3-pyridinyl)methyl)-SKF 93944RefChem:932696DTXCID60157928

名称をさらに表示

テメラスチン2-[[4-(5-ブロモ-3-メチル-2-ピリジニル)ブチル]アミノ]-5-[(6-メチル-3-ピリジニル)メチル]-4(1H)-ピリミジノン2-{[4-(5-ブロモ-3-メチルピリジン-2-イル)ブチル]アミノ}-5-[(6-メチルピリジン-3-イル)メチル]-1,4-ジヒドロピリミジン-4-オンSKF-939442-[[4-(5-Bromo-3-methyl-2-pyridinyl)butyl]amino]-5-[(6-methyl-3-pyridinyl)methyl]-4(1H)-pyrimidinone

2-[4-(5-bromo-3-methylpyridin-2-yl)butylamino]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-oneTemelastinum [Latin]Temelastina [Spanish]UNII-BF6IGI53XHTemelastine [USAN:INN:BAN]TEMELASTINE [INN]Temelastine (USAN/INN)TEMELASTINE [USAN]

データベース識別子

CAS: 86181-42-2
PubChem CID: 55482
DTXSID: DTXSID60235437
ChEMBL: CHEMBL70598
ChEBI: CHEBI:180882
UNII: BF6IGI53XH
Nikkaji: J23.727B

物性

構造計算による物性

XLogP: 3.7
極性表面積: 79.3 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 8
重原子数: 28
形式電荷: 0
複雑度: 593

実験および物理化学的性質

LogP3.19

化学と産業

薬理情報

MeSH Pharmacological Classification · 1 件

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.

Metabolite PathwaysTemelastine H1-Antihistamine Action

応用分野

使用Antihistaminic.

サプライヤー2 社

上海陶术生物科技股份有限公司13564774135 · [email protected]

TargetMol中国（陶术生物）15002134094 · [email protected]