基本情報
- CAS
100981-43-9- 標準SMILES
NC(N)=Nc1nc(CSCCN=CNS(=O)(=O)c2ccc(Br)cc2)cs1- InChIKey
ZQHFZHPUZXNPMF-UHFFFAOYSA-N- 分子式
- C14H17BrN6O2S3
- 平均分子量
- 477.4 g/mol
- 単同位体質量
- 475.97585
概要
Ebrotidine is a sulfonamide.
名称と識別子
- 優先名称
- Ebrotidine
- IUPAC
- N-(4-bromophenyl)sulfonyl-N'-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]methanimidamide
- 現地名
- エブロチジン
- 英語名
- Ebrotidine
- 分子式
- C14H17BrN6O2S3
- 分子量
- 477.42
名称と別名
Ebrotidine100981-43-9EbrotidinaEbrotidinumTMZ3IBW2OWDTXSID801436014-bromo-N-(((2-(((-((diaminomethylene)amino)-4-thiazolyl)methyl)thio)ethyl)amino)methylene)benzenesulfonamideN-((4-bromobenzene)sulfonyl)-N'-(2-(((2-carbamimidamido-1,3-thiazol-4-yl)methyl)sulfanyl)ethyl)methanimidamideN-[(4-bromobenzene)sulfonyl]-N'-(2-{[(2-carbamimidamido-1,3-thiazol-4-yl)methyl]sulfanyl}ethyl)methanimidamideRefChem:136183DTXCID4066092FI-3542
名称をさらに表示
エブロチジンN'-(4-ブロモベンゼンスルホニル)-N-{2-[({2-[(ジアミノメチリデン)アミノ]-1,3-チアゾール-4-イル}メチル)スルファニル]エチル}メタンイミドアミド4-ブロモ-N-[2-[[2-[(ジアミノメチレン)アミノ]チアゾール-4-イル]メチルチオ]エチルアミノメチレン]ベンゼンスルホンアミドエブロジンp-ブロモ-N-[[2-[[2-[(ジアミノメチレン)アミノ]チアゾール-4-イル]メチルチオ]エチル]アミノメチレン]ベンゼンスルホンアミドウルサニック4-ブロモ-N-[[[2-[[2-[(ジアミノメチレン)アミノ]-4-チアゾリル]メチルチオ]エチル]アミノ]メチレン]ベンゼンスルホンアミドFI3542UlsanicFI 3542Ebrotidine, 10 mM in DMSOFI 3542
物性
構造計算による物性
- XLogP
- 1.5
- 極性表面積
- 198 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 7
- 回転可能結合数
- 9
- 重原子数
- 26
- 形式電荷
- 0
- 複雑度
- 586
物理化学的性質
- 融点
- 142.5 · 142.5-146℃
- 沸点
- 633 · 633.0±65.0 °C(Predicted)
- 比重(密度)
- 1.73 · 1.73±0.1 g/cm3(Predicted)
- 貯蔵温度
- -20 °C · Amber Vial, -20°C Freezer, Under inert atmosphere
- 溶解性
- DMSO（微量）、メタノール（微量）
- 酸解離定数(Pka)
- 5.25 · 5.25±0.40(Predicted)
- 外見
- 個体
- 色
- ホワイトからオフホワイト
- 安定性
- 光に敏感
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。
毒性情報
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Ebrotidine
vMost-DILI-concern
8
Withdrawn
DOI:10.1016/j.drudis.2016.02.015
化学と産業
薬理情報
MeSH Pharmacological Classification
Various agents with different action mechanisms used to treat or ameliorate PEPTIC ULCER or irritation of the gastrointestinal tract. This has included ANTIBIOTICS to treat HELICOBACTER INFECTIONS; HISTAMINE H2 ANTAGONISTS to reduce GASTRIC ACID secretion; and ANTACIDS for symptomatic relief.
Drugs that selectively bind to but do not activate histamine H2 receptors, thereby blocking the actions of histamine. Their clinically most important action is the inhibition of acid secretion in the treatment of gastrointestinal ulcers. Smooth muscle may also be affected. Some drugs in this class have strong effects in the central nervous system, but these actions are not well understood.
応用分野
説明Ebrocit was launched in Spain as a gastroprotective agent. It was prepared from 4-bromobenzenesulfonamide in two steps. Ebrocit's activity arises from its ability to antagonize histamine H2-receptors (the first of a new generation) showing 1.5-2.5 times higher affinity than Ranitidine and 2-fold greater affinity than cimetidine which correlates to an antisecretory potency of 1 times and 4-10 times respectively. Cytoand gastroprotection arises from increased gastric mucus production, enhanced physiochemical properties (decreased permeability of H+), and an increase in mucin glycosylation and sulfation. It acts on gastric mucosal EGF and PDGF receptor expression. Nitric oxide was also found to be involved. Ebrocit caused enhanced mucosal blood flow with anti H.pylori activity. It has diminished P450 binding which eliminates the possibility of mutagenic nitrosoamine formation.
使用Ebrotidine is a H2 receptor antagonist that has shown gastroprotective properties against gastric mucosal damange.
サプライヤー29 社
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…