基本情報
- CAS
57132-53-3- 標準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- 分子式
- C46H58ClN5O8
- 平均分子量
- 844.4 g/mol
- 単同位体質量
- 843.3973915
概要
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.
名称と識別子
- 優先名称
- 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
- 現地名
- プログルメタシン
- 英語名
- PROGLUMETACIN MALEATE
- 分子式
- C46H58ClN5O8
- 分子量
- 844.43
名称と別名
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
名称をさらに表示
プログルメタシン1-(4-クロロベンゾイル)-5-メトキシ-2-メチル-1H-インドール-3-酢酸2-[4-[3-[[4-(ベンゾイルアミノ)-5-(ジプロピルアミノ)-1,5-ジオキソペンチル]オキシ]プロピル]-1-ピペラジニル]エチル3-{4-[2-({2-[1-(4-クロロベンゾイル)-5-メトキシ-2-メチル-1H-インドール-3-イル]アセチル}オキシ)エチル]ピペラジン-1-イル}プロピル 4-(ジプロピルカルバモイル)-4-(フェニルホルムアミド)ブタノアート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, (+-)-
物性
構造計算による物性
- XLogP
- 7.3
- 極性表面積
- 140 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 10
- 回転可能結合数
- 23
- 重原子数
- 60
- 形式電荷
- 0
- 複雑度
- 1,360
実験および物理化学的性質
DrugsPharmaceuticals
物理化学的性質
- 溶解性
- DMSO (Slightly), Methanol (Slightly, Heated, Sonicated)
- 外見
- Solid
- 色
- White to Pale Yellow
化学と産業
薬理情報
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.
用途と製造
UsesUse (kg; approx.) in Germany (2009): >500
サプライヤー7 社
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
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