디클로페낙 나트륨
디클로페낙나트륨 · 디클로페낙나트륨(DICLOFENACSODIUM) · DICLOFENAC SODIUM SALT · VOLTAREN · Solaraze · tsudohmin · Diclofenac Sodiu · Aceclofenac EP IMpurity A
식별자 및 물리적 특성
| CAS No. | 15307-79-6 |
|---|---|
| 분자식 | C14H10Cl2NO2- |
| 평균 분자량 | 295.1 g/mol |
| 단동위원소 질량 | 294.0088589 g/mol |
| SMILES | O=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl |
| InChIKey | DCOPUUMXTXDBNB-UHFFFAOYSA-M |
| PubChem CID | 3032 |
| ChEBI | CHEBI:48311 |
| DTXSID | DTXSID201189538 |
| 현지명 | 디클로페낙 나트륨 |
화학 및 물리적 성질
| XLogP | 5 |
|---|---|
| 극성 표면적 | 52.2 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 19 |
| 형식 전하 | -1 |
| 복잡도 | 298 |
| 녹는점 | 288-290°C |
| 밀도 | 0.781 g/cm3 |
| 저장 조건 | room temp |
| 용해도 | H2O: 50 mg/mL |
| pKa(산도 계수) | 4(at 25℃) |
| 물리적 상태 | 흰색 고체 |
| 색상 | 흰색에서 거의 흰색 |
| 생물학적 소스 | synthetic |
| 용해도 | 50mg/ml까지 물에 용해됩니다. |
| Merck | 14,3081 |
| BCS Class | 2 |
| 안정성 | 안정적인. |
| 주요 응용 | 법의학 및 독성학의약품(소분자) |
| 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+] |
화학적 성질
Off-White Crystalline Solid
안전 및 규제
| 수질 위해 등급(WGK) | 3 |
|---|---|
| RTECS 번호 | AG6330000 |
| 운송 번호(UN) | UN 2811 6.1/PG 3 |
| 독성 | LD50 in mice, rats (mg/kg): ~390, 150 orally (Krupp) |
| 관세 코드 | 29224999 |
| 위험 문구(R) | 25-36/37/38-63 |
| 위험 표시 | T,Xi |
| 안전 문구(S) | 22-36/37-45-36-26-60-20 |
| 포장분류 | III |
| 위험 등급 | 6.1(b)Acute Tox. 3 OralAquatic Chronic 2Repr. 2STOT RE 1 |
| 기존화학 물질 | KE-10179 |
| 저장 분류 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
용도
용도
1. 백내장 수술시 다음 증상의 방지. ·수술 후 염증 ·수술 중 축동. ·수정체 축출과 인공수정체 삽입술과 관련된 낭포황반부종. 2. 전안부의 염증 치료. ·만성 결막염등 비감염성 염증 ·외상 후 염증.
개요
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.
역사
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.
용도
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.
일반 설명
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.