기본 정보
- CAS
39718-89-3- 표준 SMILES
C=C(C)CNc1ccc(C(C)C(=O)O)cc1- InChIKey
FPHLBGOJWPEVME-UHFFFAOYSA-N- 분자식
- C13H17NO2
- 평균 분자량
- 219.28 g/mol
- 단동위원소 질량
- 219.12592879
개요
Alminoprofen is a substituted aniline that is ibuprofen in which the isobutyl group is replaced by a (2-methylprop-2-en-1-yl)amino group. A non-steroidal anti-inflammatory drug, it is used for treatment of inflammatory and rheumatic disorders. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, an antipyretic, an antirheumatic drug, an EC 3.1.1.4 (phospholipase A2) inhibitor, a cyclooxygenase 2 inhibitor and an EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor. It is a monocarboxylic acid, an amino acid, a substituted aniline and a secondary amino compound.
이름 및 식별자
- 우선 이름
- Alminoprofen
- IUPAC
- 2-[4-(2-methylprop-2-enylamino)phenyl]propanoic acid
- 영어명
- alminoprofen
- 분자식
- C13H17NO2
- 분자량
- 219.28
이름 및 동의어
alminoprofen39718-89-3AlminoprofeneAlminoprofenoAlminoprofenumMinalfenEB 382EB-382p-((2-Methylallyl)amino)hydratropic acidBRN 23736332-(4-((2-Methylallyl)amino)phenyl)propansaeure0255AHR9GJ
이름 더 보기
Minalfenerac AlMinoprofenalminoprofen USP/EP/BPALMINOPROFEN(FORR&DONLY)Alminoprofene [inn-french]
Benzeneacetic acid, alpha-methyl-4-((2-methyl-2-propenyl)amino)-Acide (methallylamino-4 phenyl)-2 propionique2-{4-[(2-methylprop-2-en-1-yl)amino]phenyl}propanoic acidalpha-Methyl-4-((2-methyl-2-propenyl)amino)benzeneacetic acidCHEBI:31190alpha-methyl-4-[(2-methyl-2-propenyl)amino]benzeneacetic acid2-{4-[(2-methylprop-2-en-1-yl)amino]phenyl}propionic acid2-(4-((2-methylprop-2-en-1-yl)amino)phenyl)propanoic acid
데이터베이스 식별자
- CAS
39718-89-3- PubChem CID
- 2097
- DTXSID
DTXSID90865968- ChEMBL
CHEMBL1765293- ChEBI
CHEBI:31190- UNII
- 0255AHR9GJ
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 49.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 255
물리화학적 성질
- 녹는점
- 107 ° · 107°
- 끓는 점
- 360.1 °C · 360.1°C (rough estimate)
- 밀도
- 1.0697 · 1.0697 (rough estimate)
- 굴절률
- 1.51 · 1.5100 (estimate)
- 저장 조건
- -20 °C · -20°C Freezer
- 용해도
- 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 4.86 · 4.86±0.50(Predicted)
- 색상
- 연한 갈색
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS ClassificationNot Classified
유해성 정보
Hazard Classes and CategoriesNot Classified
안전 데이터
- 독성
- LD50 orally in mice: 2400 mg/kg (Dumaitre)
화학 및 산업
약리 정보
ATC Code
M - Musculo-skeletal system
QM - Musculo-skeletal system
MeSH Pharmacological Classification
Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.
응용 분야
개요Alminoprofen is an arylpropionic acid analgesic/antiinflammatory agent indicated for the short term management of dental, traumatic and postpartum pain.
용도Alminoprofen is a nonsteroidal antiinflammatory drugs (NSAID) of the phenylpropionic acid class. Alminoprofen maybe a useful therapeutic option in the management of immune dysfunction in rheumatoid ar thritis.
상·하류 제품 정보
상류 원료
하류 제품
공급사46 곳
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