기본 정보
- CAS
100981-43-9- 표준 SMILES
NC(N)=Nc1nc(CSCCN=CNS(=O)(=O)c2ccc(Br)cc2)cs1- InChIKey
ZQHFZHPUZXNPMF-UHFFFAOYSA-N- 분자식
- C14H17BrN6O2S3
- 평균 분자량
- 477.4 g/mol
- 단동위원소 질량
- 475.97585
개요
Ebrotidine is a sulfonamide.
이름 및 식별자
- 우선 이름
- Ebrotidine
- IUPAC
- N-(4-bromophenyl)sulfonyl-N'-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]methanimidamide
- 현지명
- 에브로티딘
- 영어명
- Ebrotidine
- 분자식
- C14H17BrN6O2S3
- 분자량
- 477.42
이름 및 동의어
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
이름 더 보기
에브로티딘FI3542UlsanicFI 3542Ebrotidine, 10 mM in DMSOFI 3542ULSANICFI3542Ebrotidine,FI 3542,Histamine Receptor,inhibit,Inhibitor,FI-3542(E)-N-[[[2-[[[2-[(Aminoiminomethyl)amino]-4-thiazolyl]methyl]thio]ethyl]amino]methylene]-4-bromobenzenesulfonamide
Ebrotidine [INN]N-(4-bromophenyl)sulfonyl-N'-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]methanimidamideEbrotiding(E)-N'-((4-bromophenyl)sulfonyl)-N-(2-(((2-guanidinothiazol-4-yl)methyl)thio)ethyl)formimidamideEbrotidinum [Latin]Ebrotidina [Spanish]Ebrocitp-Bromo-N-[(E)-({2-[({2-[(diaminomethylene)amino]-4-thiazolyl}methyl)thio]ethyl}amino)methylene]benzenesulfonamide;p-Bromo-N-[(E)-({2-[({2-[(diaminomethylene)amino]-4-thiazolyl}methyl)thio]ethyl}amino)methylene]benzenesulfonamide
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 198 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 586
물리화학적 성질
- 녹는점
- 142.5 · 142.5-146℃
- 끓는 점
- 633 · 633.0±65.0 °C(Predicted)
- 밀도
- 1.73 · 1.73±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Amber Vial, -20°C Freezer, Under inert atmosphere
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 5.25 · 5.25±0.40(Predicted)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- 안정성
- 감광성
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
독성 정보
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Withdrawn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
화학 및 산업
약리 정보
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.
응용 분야
개요Ebrocit 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.
용도Ebrotidine is a H2 receptor antagonist that has shown gastroprotective properties against gastric mucosal damange.
공급사29 곳
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]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…