기본 정보
- CAS
261766-23-8- 표준 SMILES
COc1ccc2c(c1)c(CC(=O)Nc1ccc(NC(C)=O)cc1)c(C)n2C(=O)c1ccc(Cl)cc1- InChIKey
CVMUUPNNEPVQCL-UHFFFAOYSA-N- 분자식
- C27H24ClN3O4
- 평균 분자량
- 489.9 g/mol
- 단동위원소 질량
- 489.1455339
개요
N-(4-acetamidophenyl)-Indomethacin amide is a N-acylindole.
이름 및 식별자
- 우선 이름
- N-(4-Acetamidophenyl)indomethacin Amide
- IUPAC
- N-(4-acetamidophenyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide
- 현지명
- N-(4-아세트아미도페닐)-인도메타신아미드
- 영어명
- N-(4-Acetamidophenyl)-indomethacin amide
- 분자식
- C27H24ClN3O4
- 분자량
- 489.95
이름 및 동의어
261766-23-8N-(4-Acetamidophenyl)indomethacin AmideN-(4-acetamidophenyl)-Indomethacin amideN-(4-acetamidophenyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamideCHEMBL954691H-Indole-3-acetamide, N-[4-(acetylamino)phenyl]-1-(4-chlorobenzoyl)-5-methoxy-2-methyl-C27H24ClN3O4N-(4-Acetamidophenyl)-2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetamideN-(4-Acetamidophenyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetamideIndomethacin derivative, 7SCHEMBL29392557BDBM22954
이름 더 보기
N-(4-아세트아미도페닐)-인도메타신아미드N-4AIAN-4ACETIAN-(4-ACETAMIDOPHENYL)-1-P-CHLOROBENZOYL-5-METHOXY-2-METHYLINDOLE-3-ACETAMIDEN-(4-ACETAMIDOPHENYL)-1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-1H-INDOLE-3-ACETAMIDEN-4AcetIA, N-(4-Acetamidophenyl)-1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetamide
DTXSID80399202CHEBI:188140HMS3649M09MFCD02683236AKOS001120378AB12499EBC-145172WAY-267777
데이터베이스 식별자
- CAS
261766-23-8- PubChem CID
- 4090966
- DTXSID
DTXSID80399202- ChEMBL
CHEMBL95469- ChEBI
CHEBI:188140- Nikkaji
- J1.729.903D
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 89.4 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 764
물리화학적 성질
- 녹는점
- 256 · 256-257°C
- 저장 조건
- 20 °C · −20°C
- 용해도
- 15 mg/mL · 에 용해됨 DMSO: 15mg/mL
- 물리적 상태
- 수정 같은
- 색상
- 옅은 노랑
화학적 성질
Pale Yellow Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
화학 및 산업
응용 분야
개요N-(4-acetamidophenyl)-indomethacin amide (N-4-AIA) is one of several aromatic amides of indomethacin reported to be potent and selective reversible inhibitors of COX-2. N-4-AIA inhibits human recombinant and ovine COX-2 with IC50 values of 0.12 and 0.625 μM, respectively. It is about 400 times less potent as an inhibitor of human recombinant COX-1 and 80 times less potent as an inhibitor of ovine COX-1 than ovine COX-2.
용도An aromatic amide of indomethacin recently reported to be a potent and selective reversible inhibitor of COX-2. Inhibits human recombinant and ovine COX-2 with IC50 of 0.1 uM and 0.625 uM, respectively
공급사9 곳
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
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