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Валдекоксиб

Валдекоксиб структура
181695-72-7
CAS №
181695-72-7
Химическое название:
Валдекоксиб
английское имя:
Valdecoxib
Синонимы:
BEXTRA;Valz;Valus;CS-592;SC 65872;Valecoxib;AKOS 92130;VALDECOXIB;Vatdecoxib;BEXTRA;SC 65872
CBNumber:
CB4754453
Формула:
C16H14N2O3S
молекулярный вес:
314.36
MOL File:
181695-72-7.mol

Валдекоксиб атрибут

Температура плавления: 162-164°C
Температура кипения: 481.2±55.0 °C(Predicted)
плотность: 1.303±0.06 g/cm3(Predicted)
температура хранения: room temp
растворимость: ДМСО: >25 мг/мл
пка: 9.83±0.10(Predicted)
форма: пудра
цвет: От белого до не совсем белого
InChI: InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)
ИнЧИКей: LNPDTQAFDNKSHK-UHFFFAOYSA-N
SMILES: C1(S(N)(=O)=O)=CC=C(C2=C(C)ON=C2C2=CC=CC=C2)C=C1
Справочник по базе данных CAS: 181695-72-7(CAS DataBase Reference)
Рейтинг продуктов питания EWG: 1
Словарь онкологических терминов NCI: valdecoxib
FDA UNII: 2919279Q3W
Словарь наркотиков NCI: Bextra
Код УВД: M01AH03
безопасность
  • Заявления о рисках и безопасности
  • код информации об опасности(GHS)
Коды опасности Xn,N
Заявления о рисках 63-48/22-51/53
Заявления о безопасности 36/37-61
РИДАДР UN 3077 9 / PGIII
WGK Германия 3
Банк данных об опасных веществах 181695-72-7(Hazardous Substances Data)
символ(GHS) GHS hazard pictogramsGHS hazard pictograms
сигнальное слово Warning
Заявление об опасности
пароль Заявление об опасности Класс опасности категория сигнальное слово пиктограмма предупреждение
H410 Чрезвычайно токсично для водных организмов с долгосрочными последствиями. Опасность для водной среды, долгосрочная опасность Категория 1 Предупреждение GHS hazard pictograms P273, P391, P501
H373 Может поражать органы (Нервная система) в результате многократного или продолжительного воздействия при вдыхании. Специфическая органная токсичность, многократное воздействие Категория 2 Предупреждение P260, P314, P501
H361d Предполагается, что данное вещество может отрицательно повлиять на неродившегося ребенка.
Внимание
P201 Беречь от тепла, горячих поверхностей, искр, открытого огня и других источников воспламенения. Не курить.
P202 Перед использованием ознакомиться с инструкциями по технике безопасности.
P260 Не вдыхать газ/ пары/ пыль/ аэрозоли/ дым/ туман.
P273 Избегать попадания в окружающую среду.
P280 Использовать перчатки/ средства защиты глаз/ лица.
P308+P313 ПРИ подозрении на возможность воздействия обратиться за медицинской помощью.

Валдекоксиб химические свойства, назначение, производство

Описание

Valdecoxib is a second-generation COX-2 inhibitor, developed as a follow-up to celecoxib for the oral once-daily treatment of osteoarthritis, adult rheumatoid arthritis and menstrual pain. Valdecoxib is approximately 28,000-fold more selective against human recombinant COX-2 than human recombinant COX-1. In an ex viva human whole blood assay, the I&O values against COX-2 and COX-1 were respectively 0.89 PM and 25.4 FM. In animal models, valdecoxib possesses excellent oral activity as an antiinflammatory. In rats, valdecoxib potently inhibited carrageenan footpad edema and adjuvant-induced arthritis.

Химические свойства

Valdecoxib is a white crystalline powder that is relatively insoluble in water (10 μg/mL) at 25°C and pH 7.0, soluble in methanol and ethanol, and freely soluble in organic solvents and alkaline (pH=12) aqueous solutions.

Использование

Valdecoxib is a nonsteroidal anti-inflammatory drug (NSAID) that exhibits anti-inflammatory, analgesic and antipyretic properties in animal models. It is a potent and selective inhibitor of prostaglandin synthesis primarily through inhibition of COX-2. Valdecoxib is used to relieve some symptoms caused by arthritis (rheumatism), such as inflammation, swelling, stiffness, and joint pain.

Подготовка

The step for the synthesis of valdecoxib: Deoxybenzoin is converted to the corresponding oxime by treatment with hydroxylamine under basic conditions with sodium acetate in aqueous ethanol or in toluene in presence of potassium hydroxide in absolute ethanol. The treatment of the oxime under nitrogen with two equivalents of butyllithium in tetrahydrofuran is followed by cyclization in ethyl acetate or acetic anhydride to the isoxazoline derivative. Finally, treatment of the isoxazoline with cold chlorosulfuric acid followed by reaction of the intermediate with aqueous ammonia afforded valdecoxib.
synthesis of valdecoxib

Определение

ChEBI: Valdecoxib is a member of the class of isoxazoles that is isoxazole which is substituted at positions 3, 4 and 5 by phenyl, p-sulfamoylphenyl and methyl groups, respectively. A selective cyclooxygenase 2-inhibitor, it used as a nonsteroidal anti-inflammatory drug (NSAID) for the treatment of arthritis from 2001 until 2005, when it was withdrawn following concerns of an associated increased risk of heart attack and stroke. It has a role as a non-steroidal anti-inflammatory drug, a cyclooxygenase 2 inhibitor, a non-narcotic analgesic, an antirheumatic drug and an antipyretic. It is a member of isoxazoles and a sulfonamide.

Общее описание

Valdecoxib (VCX) is a diaryl substituted isoxazole compound. It comprises of sulfonyl propanamide and is a metabolite of parecoxib.

Фармакокине?тика

Valdecoxib is freely soluble in alkaline aqueous solutions. At recommended doses, the mean oral bioavailability for valdecoxib is 83%, and the time to peak concentration is approximately 3 hours. Time to peak plasma concentration was delayed by 1 to 2 hours when administered with a high-fat meal. Protein binding is very high at 98%. Valdecoxib exhibits linear pharmacokinetics over the usual clinical dose range. Valdecoxib is extensively metabolized in humans. The primary metabolite for valdecoxib involved CYP2C9 hydroxylation of the 5-Me group, which was further metabolized to the inactive carboxylate, and N-hydroxylation at the sulfonamide moiety. Oxidative breakdown of the N-hydroxy sulfonamide function group led to the formation of the corresponding sulfinic acid and sulfonic acid metabolites. The O-and N-glucuronides were the major urinary metabolites. Only 3% of the administered dose was recovered in urine as unchanged valdecoxib.

Клиническое использование

Valdecoxib is approved for the relief of the signs and symptoms of osteoarthritis and adult rheumatoid arthritis and for the treatment of primary dysmenorrhea. Valdecoxib is contraindicated for the treatment of postoperative pain immediately following coronary artery bypass graft surgery.

Клиническое исследование

Valdecoxib is a substrate of CYP3A4 but no metabolism interference was seen with commonly used synthetic narcotics, alfentanil and fentanyl. Clinical studies have shown that valdecoxib is as effective as naproxen in treating osteoarthritis, rheumatoid arthritis and dysmenornhoea. The efficacy of valdecoxib was also demonstrated in managing postoperative pain (oral and orthopedic surgery) with effective analgesia and time to rescue medication superior to those obtained with rofecoxib. Several clinical trials showed that valdecoxib has a better upper gastrointestinal safety profile compared to naproxen, ibuprofen or diclofenac and does not affect platelet function. Less abdominal pain, dyspepsia and constipation were observed with valdecoxib than with naproxen. Valdecoxib is contraindicated in patients with a history of allergic reactions to sulfonamides due to reported anaphylactic and skin reactions.

Способ действия

Valdecoxib is a nonsteroidal anti-inflammatory drug (NSAID) that exhibits anti-inflammatory, analgesic and antipyretic properties in animal models. The mechanism of action is believed to be due to inhibition of prostaglandin synthesis primarily through inhibition of cyclooxygenase-2 (COX-2). At therapeutic plasma concentrations in humans valdecoxib does not inhibit cyclooxygenase-1 (COX-1).

Валдекоксиб препаратная продукция и сырье

сырьё

препарат


Валдекоксиб поставщик

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