ジクロフェナクナトリウム
ジクロフェナクナトリウム · ジクロフェナックナトリウム · アデフロニック · o-(2,6-ジクロロアニリノ)フェニル酢酸ナトリウム · ネリオジン · アデフロニック-L · ブレシン · バレタン
識別子と物理属性
| CAS No. | 15307-79-6 |
|---|---|
| 分子式 | C14H10Cl2NO2- |
| 平均分子量 | 295.1 g/mol |
| 単同位体質量 | 294.0088589 g/mol |
| SMILES | O=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl |
| InChIKey | DCOPUUMXTXDBNB-UHFFFAOYSA-M |
| PubChem CID | 3032 |
| ChEBI | CHEBI:48311 |
| DTXSID | DTXSID201189538 |
| 現地名 | ジクロフェナクナトリウム |
化学・物理的性質
| XLogP | 5 |
|---|---|
| 極性表面積 | 52.2 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 3 |
| 重原子数 | 19 |
| 形式電荷 | -1 |
| 複雑度 | 298 |
| 融点 | 288-290°C |
| 密度 | 0.781 g/cm3 |
| 貯蔵条件 | room temp |
| 溶解度 | H2O: 50 mg/mL50mg/mlまで水に溶けます。 |
| pKa（酸解離定数） | 4(at 25℃) |
| 外観・状態 | 白い固体 |
| 色 | White to Almost white |
| 由来生物 | synthetic |
| Merck | 14,3081 |
| BCS Class | 2 |
| 安定性 | 安定。 |
| 主な用途 | 法医学と毒物学医薬品（低分子化合物） |
| InChI | InChI=1S/C14H11Cl2NO2.Na/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)/q+1/p-1 |
| InChIKey | KPHWPUGNDIVLNH-UHFFFAOYSA-M |
| SMILES | C1(=CC=CC=C1CC([O-])=O)NC1=C(Cl)C=CC=C1Cl.[Na+] |
| CAS データベース | 15307-79-6(CAS DataBase Reference) |
化学的特性
Off-White Crystalline Solid
安全性と法規制
| 水環境危害等級（WGK） | 3 |
|---|---|
| RTECS 番号 | AG6330000 |
| 輸送番号（UN） | UN 2811 6.1/PG 3 |
| 毒性 | LD50 in mice, rats (mg/kg): ~390, 150 orally (Krupp) |
| 税関コード | 29224999 |
| 危険文句（R） | 25-36/37/38-63 |
| 危険表示 | T,Xi |
| 安全措置（S） | 22-36/37-45-36-26-60-20 |
| 危険等級 | 6.1(b)Acute Tox. 3 OralAquatic Chronic 2Repr. 2STOT RE 1 |
| 包装等級 | III |
| 貯蔵分類 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
用途
用途
フェニル酢酸系化合物です。シクロオキシゲナーゼ(COX)を阻害し、プロスタグランジン生合成抑制作用を示します。
用途
薬理・生理作用研究用。
説明
Diclofenac is a non-steroidal anti-inflammatory drug (NSAID) and COX inhibitor (IC50s = 0.9-2.7 and 1.5-20 μM, for human COX-1 and COX-2, respectively). It is also an active metabolite of diclofenac methyl ester and diclofenac amide . Diclofenac inhibits release of arachidonic acid (Item Nos. 90010 | 90010.1 | 10006607) induced by A23187 in isolated rat peritoneal neutrophils and macrophages (IC50s = 60 and 10 μM, respectively). Transdermal administration of diclofenac inhibits carrageenan-induced paw edema in rats. Formulations containing diclofenac have been used in the treatment of pain associated with osteoarthritis, rheumatoid arthritis, and ankylosing spondylitis.
来歴
Diclofenac sodium is a classic nonsteroidal anti-inflammatory drug (NSAID), known for its potent antipyretic, analgesic, and anti-inflammatory effects, and is marketed under brand names such as Voltaren. Its discovery and widespread use have had a profound impact on the treatment of pain and inflammation.Discovery and Patent (1965): Diclofenac sodium was synthesized by a team of researchers Rudolf Pfister and Alfred Sallmann at the Swiss pharmaceutical company Ciba-Geigy AG (now part of Novartis) while searching for a highly active and well-tolerated NSAID. The compound was patented in 1965.First Market Launch (1973): After extensive preclinical and clinical trials, diclofenac sodium was first marketed globally in 1973 under the brand name Voltaren. Its design philosophy is based on clear principles and aims to be an effective cyclooxygenase (COX) inhibitor.
使用
Diclofenac sodium is a nonsteroidal anti-inflammatory compound and cyclooxygenase (COX) inhibitor. Oxidation of diclofenac sodium produces the metabolite 4'-hydroxy diclofenac) which demonstrates specific inhibition of Cox-2. Inhibition of Cox by diclofenac and 4'-hydroxy diclofenac suppresses prostaglandin E2 synthesis, producing anti-inflammatory and analgesic effects. Diclofenac is also shown to stabilize the native tetrameric conformation of transthyretin (TTR) fibrils, preventing the formation of insoluble amyloidogenic TTR deposits. Diclofenac Sodium is a substrate of CYP2C9. It is also used as an inhibitor of Cox-1 and Cox-2.
一般的な説明
Pharmaceutical secondary standards for application in quality control, provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards.Diclofenac is a derivative of benzeneacetic acid. It is categorized under the class of non-steroidal anti-inflammatory drugs (NSAIDs). It shows inflammatory, analgesic and antipyretic activities.