基本情報
- CAS
90101-16-9- 標準SMILES
CN1c2c(oc(=O)n(-c3ccccn3)c2=O)-c2ccccc2S1(=O)=O- InChIKey
OEHFRZLKGRKFAS-UHFFFAOYSA-N- 分子式
- C16H11N3O5S
- 平均分子量
- 357.3 g/mol
- 単同位体質量
- 357.04194163
名称と識別子
- 優先名称
- Droxicam
- IUPAC
- 5-methyl-6,6-dioxo-3-pyridin-2-yl-[1,3]oxazino[5,6-c][1,2]benzothiazine-2,4-dione
- 現地名
- ドロキシカム
- 英語名
- Droxicam
- 分子式
- C16H11N3O5S
- 分子量
- 357.34
名称と別名
Droxicam90101-16-9DroxicamumF24ADO1E2DDTXSID70238035CHEBI:76133RefChem:1358475-methyl-3-(2-pyridyl)-2H,5H-1,3-oxazino(5,6-c)(1,2)benzothiazine-2,4(3H)dione-6,6-dioxideDTXCID90160526M01AC048-methyl-5-(pyridin-2-yl)-3-oxa-9??-thia-5,8-diazatricyclo(8.4.0.02,?)tetradeca-1(14),2(7),10,12-tetraene-4,6,9,9-tetrone5-Methyl-3-(pyridin-2-yl)benzo[5,6][1,2]thiazino[3,4-e][1,3]oxazine-2,4(3H,5H)-dione 6,6-dioxide
名称をさらに表示
ドロキシカム5-メチル-3-(ピリジン-2-イル)-2H,5H-1,3-オキサジノ[5,6-c][1,2]ベンゾチアジン-2,4(3H)-ジオン6,6-ジオキシド8-メチル-4,6-ジオキソ-5-(ピリジン-2-イル)-3-オキサ-9-チア-5,8-ジアザトリシクロ[8.4.0.02,7]テトラデカ-1(14),2(7),10,12-テトラエン-9,9-ジイウム-9,9-ビス(オラート)E-318DroxarDobenamDroxicam USP/EP/BP5-Methyl-3-(2-pyridyl)-2H,5H-1,3-oxazino[5,6-c][1,2]benzothiazine-2,4(3H)-dione 6,6-dioxide
Droxicam [INN]C16H11N3O5SE-3128MFCD008660325-methyl-6,6-dioxo-3-pyridin-2-yl-[1,3]oxazino[5,6-c][1,2]benzothiazine-2,4-dioneOmbolanDroxicam (INN)5-Methyl-3-(pyridin-2-yl)benzo[5,6][1,2]thiazino-[3,4-e][1,3]oxazine-2,4(3H,5H)-dione 6,6-dioxide
データベース識別子
- CAS
90101-16-9- PubChem CID
- 65679
- DTXSID
DTXSID70238035- ChEMBL
CHEMBL1213420- ChEBI
CHEBI:76133- UNII
- F24ADO1E2D
物性
構造計算による物性
- XLogP
- 1.2
- 極性表面積
- 105 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 7
- 回転可能結合数
- 1
- 重原子数
- 25
- 形式電荷
- 0
- 複雑度
- 741
物理化学的性質
- 融点
- 259 · 259-261°
- 沸点
- 554.7 · 554.7±60.0 °C(Predicted)
- 比重(密度)
- 1.68 · 1.68±0.1 g/cm3(Predicted)
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- DMSO（微量）、メタノール（微量、加温）
- 酸解離定数(Pka)
- 3.8 · 3.80±0.19(Predicted)
- 外見
- 個体
- 色
- オフホワイトからペールイエロー
- CAS データベース
- 90101 · 90101-16-9
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
毒性情報
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Droxicam
vMost-DILI-concern
8
Withdrawn
DOI:10.1016/j.drudis.2016.02.015
安全データ
- 毒性
- LD50 orally in male, female mice, and male, female rats: 6192, 8841, 1434, 1994 mg/kg (Soler, 1986)
化学と産業
薬理情報
ATC Code
M - Musculo-skeletal system；M01 - Antiinflammatory and antirheumatic products；M01A - Antiinflammatory and antirheumatic products, non-steroids；M01AC - Oxicams；M01AC04 - Droxicam
QM - Musculo-skeletal system；QM01 - Antiinflammatory and antirheumatic products；QM01A - Antiinflammatory and antirheumatic products, non-steroids；QM01AC - Oxicams；QM01AC04 - Droxicam
Protein BindingData not available for prodrug. See [DB00554] for information on the active compound.
PharmacodynamicsDroxicam is a prodrug of [DB00554]. Droxicam administration produces anti-inflammatory, antirheumatic, analgesic, and antipyretic effects similar to [DB00554].
Mechanism of ActionDroxicam is converted to [DB00554] via hydrolysis of the ester group in the intestine. Droxicam administration inhibits the synthesis of prostaglandins by cyclooxygenase enzymes.
Biological Half-LifeData not available for prodrug. See [DB00554] for information on the active compound.
Metabolism/MetabolitesConverted to [DB00554] via ester hydrolysis.
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.
Absorption, Distribution and Excretion
Tmax of 7 h. Bioavailability equivalent to [DB00554] which is thought to be completely absorbed in humans based on data from rabbits.
関連反応
2 件
化合物ノート
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