기본 정보
- CAS
112885-41-3- 표준 SMILES
CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1- InChIKey
YPELFRMCRYSPKZ-UHFFFAOYSA-N- 분자식
- C21H25ClFN3O3
- 평균 분자량
- 421.9 g/mol
- 단동위원소 질량
- 421.15684756
개요
Mosapride is a racemate comprising equimolar amounts of (R)- and (S)-mosapride. It is a gastroprokinetic agent which acts on 5-hydroxytryptamine type 4 (5-HT4) receptors in the gastrointestinal plexus, consequently increasing the release of acetylcholine and hence enhancing gastrointestinal motility and gastric emptying. It has a role as a serotonergic agonist and a gastrointestinal drug. It contains a (R)-mosapride and a (S)-mosapride.
이름 및 식별자
- 우선 이름
- Mosapride
- IUPAC
- 4-amino-5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamide
- 영어명
- Mosapride
- 분자식
- C21H25ClFN3O3
- 분자량
- 421.89
이름 및 동의어
Mosapride112885-41-34-amino-5-chloro-2-ethoxy-N-((4-(4-fluorobenzyl)-2-morpholinyl)methyl)benzamideMosart4-amino-5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamidemosapridaI8MFJ1C0BY4-amino-5-chloro-2-ethoxy-N-({4-[(4-fluorophenyl)methyl]morpholin-2-yl}methyl)benzamideDTXSID2048408CHEBI:94373CHEBI:167204mosapridum
이름 더 보기
MozaMosapidTAK-370Mosid-MTMoxabiliMosapride referenceMosapride USP/EP/BPMosapride, 10 mM in DMSO((4-(4-fluorobenzyl)-2-morpholinyl)methyl)benzamide/mosapride
4-amino-5-chloro-2-ethoxy-N-((4-((4-fluorophenyl)methyl)morpholin-2-yl)methyl)benzamide4-amino-5-chloro-2-ethoxy-N-[[4-(4-fluorobenzyl)-2-morpholinyl]methyl]benzamideRefChem:159818DTXCID4028381A03FA09Benzamide, 4-amino-5-chloro-2-ethoxy-N-((4-((4-fluorophenyl)methyl)-2-morpholinyl)methyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)Mosapride [INN]C21H25ClFN3O3
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 76.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 521
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Alimentary tract and metabolism -> Drugs for acid related disorders
Collision Cross Section195.8 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID7046207]
물리화학적 성질
- 녹는점
- 151 · 151-153°C
- 끓는 점
- 549.2 · 549.2±50.0 °C(Predicted)
- 밀도
- 1.272 · 1.272±0.06 g/cm3(Predicted)
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 13.52 · 13.52±0.46(Predicted)
- 색상
- 흰색에서 황백색까지
화학적 성질
White to Off-White Crystalline Solid
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 Severity and Toxicity (DILIst)
Mosapride
DILI Positive
DOI:10.1016/j.drudis.2019.09.022
화학 및 산업
약리 정보
ATC Code
A - Alimentary tract and metabolism
QA - Alimentary tract and metabolism
MeSH Pharmacological Classification
Drugs used for their effects on the gastrointestinal system, as to control gastric acidity, regulate gastrointestinal motility and water flow, and improve digestion.
Endogenous compounds and drugs that bind to and activate SEROTONIN RECEPTORS. Many serotonin receptor agonists are used as ANTIDEPRESSANTS; ANXIOLYTICS; and in the treatment of MIGRAINE DISORDERS.
응용 분야
개요Mosapride citrate, a new gastroprokinetic benzamide was introduced in Japan as Gasmotin for the relief of gastrointestinal symptoms in patients with chronic gastritis, gastro-oesophageal reflux, dyspepsia and post-surgery use. Mosapride is synthesized by final amidation between the corresponding benzoic acid, itself obtained in 3 steps from methyl 4-acetamido salicylate, and the appropriate 2-aminomethyl-morpholine. Mosapride is a 5-HT4 partial agonist without notable activity for D2, 5-HT1 , 5-HT2, alpha-1 and alpha-2 receptors. In dogs, mosapride was as potent as cisapride to stimulate antral and duodenal motility. In most of species including man, mosapride undergoes extensive cleavage to a N-debenzylated metabolite which retains partial 5-HT4 activity but has potent 5-HT3 antagonist activity.
용도A selective 5-HT4 receptor agonist. Gastroprokinetic.
상·하류 제품 정보
상류 원료
관련 반응
8건
화합물 노트
불러오는 중…