기본 정보
- CAS
57132-53-3- 표준 SMILES
CCCN(CCC)C(=O)C(CCC(=O)OCCCN1CCN(CCOC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)CC1)NC(=O)c1ccccc1- InChIKey
PTXGHCGBYMQQIG-UHFFFAOYSA-N- 분자식
- C46H58ClN5O8
- 평균 분자량
- 844.4 g/mol
- 단동위원소 질량
- 843.3973915
개요
Proglumetacin is a carboxylic ester obtained by formal condensation of the carboxy group of indometacin with the hydroxy group of 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl N2-benzoyl-N,N-dipropyl-alpha-glutaminate. Used (as its dimaleate salt) to control pain and inflammation associated with musculoskeletal and joint disorders. Following oral administration, it is metabolised to indometacin and proglumide, a drug with antisecretory effects that helps prevent injury to the stomach lining. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, an antipyretic, an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor, a lipoxygenase inhibitor and a prodrug. It is a member of benzamides, a carboxylic ester, an aromatic ether, a N-alkylpiperazine, a N-acylindole and a member of monochlorobenzenes. It is functionally related to a proglumide and an indometacin.
이름 및 식별자
- 우선 이름
- Proglumetacin
- IUPAC
- 3-[4-[2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyethyl]piperazin-1-yl]propyl 4-benzamido-5-(dipropylamino)-5-oxopentanoate
- 영어명
- PROGLUMETACIN MALEATE
- 분자식
- C46H58ClN5O8
- 분자량
- 844.43
이름 및 동의어
PROGLUMETACIN57132-53-3ProglumetacinaProglumetacineProglumetacinumDTXSID0048842FV919079LUDTXCID3028768CHEBI:76263RefChem:176175M01AB143-(4-(2-((2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)oxy)ethyl)piperazin-1-yl)propyl 4-(dipropylcarbamoyl)-4-(phenylformamido)butanoate
이름 더 보기
PROGLUMETACIN MALEATE1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 2-[4-[3-[[4-(benzoylamino)-5-(dipropylamino)-1,5-dioxopentyl]oxy]propyl]-1-piperazinyl]ethyl ester1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 2-[4-[3-[[4-(benzoylamino)-5-(dipropylamino)-1,5-dioxopentyl]oxy]propyl]-1-piperazinyl]ethyl ester (9CI)1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 2-[4-[3-[[4-(benzoylamino)-5-(dipropylamino)-1,5-dioxopentyl]oxy]propyl]-1-piperazinyl]ethyl ester, (+-)-
3-[4-[2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyethyl]piperazin-1-yl]propyl 4-benzamido-5-(dipropylamino)-5-oxopentanoateProglumetacin (INN)NCGC00183024-01PROGLUMETACIN [INN]1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 2-[4-[3-[[4-(benzoylamino)-5-(dipropylamino)-1,5-dioxopentyl]oxy]propyl]-1-piperazinyl]ethyl esterProglumetacin [INN:BAN]Proglumetacine [INN-French]Proglumetacinum [INN-Latin]
데이터베이스 식별자
- CAS
57132-53-3- PubChem CID
- 4921
- DTXSID
DTXSID0048842- ChEMBL
CHEMBL2105825- ChEBI
CHEBI:76263- UNII
- FV919079LU
- Nikkaji
- J14.535A
물성
구조 계산 물성
- XLogP
- 7.3
- 극성 표면적
- 140 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 23
- 무거운 원자 수
- 60
- 형식 전하
- 0
- 복잡도
- 1,360
실험 및 물리화학적 성질
DrugsPharmaceuticals
물리화학적 성질
- 용해도
- DMSO (약간 용해됨), 메탄올(약간 용해됨,가열, 초음파 처리)
- 물리적 상태
- 고체
- 색상
- 흰색에서 연한 노란색
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- 기존화학 물질
- KE-05543
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.
용도 및 제조
UsesUse (kg; approx.) in Germany (2009): >500
공급사7 곳
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
深圳市祥根生物医药有限公司0755-28967200 13631290199 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
추가 설명
정의ChEBI: A carboxylic ester obtained by formal condensation of the carboxy group of indometacin with the hydroxy group of 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl N2-benzoyl-N,N-dipropy -alpha-glutaminate. Used (as its dimaleate salt) to control pain and inflammation associated with musculoskeletal and joint disorders. Following oral administration, it is metabolised to indometacin and proglumide, a drug with antisecretor effects that helps prevent injury to the stomach lining.
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