SML0653

Capecitabine

≥98% (HPLC)

• Synonyme(s) : 5′-Deoxy-5-fluoro-N-[(pentyloxy)carbonyl]cytidine, Ro-9-1978
• Formule empirique (notation de Hill): C₁₅H₂₂FN₃O₆
• Numéro CAS: 154361-50-9
• Poids moléculaire : 359.35
• Numéro MDL: MFCD00930626
• Code UNSPSC : 12352200
• ID de substance PubChem : 329825576
• Nomenclature NACRES : NA.77

Propriétés

• Niveau de qualité: 100
• Pureté: ≥98% (HPLC)
• Forme: powder
• Activité optique: [α]/D +80 to +100°, c = 0.5 in methanol
• Couleur: white to beige
• Solubilité: H₂O: 10 mg/mL, clear (warmed)
• Température de stockage: 2-8°C
• Chaîne SMILES: O[C@H]1[C@@H](O)[C@H](N2C(N=C(NC(OCCCCC)=O)C(F)=C2)=O)O[C@@H]1C
• InChI: 1S/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10-,11-,13-/m1/s1
• Clé InChI: GAGWJHPBXLXJQN-UORFTKCHSA-N
• Informations sur le gène: human ... TYMS(7298)

Description

Application

Capecitabine has been used:

• in combination with gemcitabine to achieve glutamine deprivation by enhancing the sensitivity of expression in pancreatic ductal adenocarcinoma (PDAC) cells to inhibitors of glutamine metabolism and study its effect on PDAC cell survival
• to study the drug metabolic function in a two-organ microfluidic system
• as an anti-cancer agent to study its cytotoxic activity alone or in combination with B87 on cancer cells

Actions biochimiques/physiologiques

Capecitabine is an anti-cancer drug, a prodrug of doxifluridine, metabolized to 5-fluorouracil at the tumor site. The activation of capecitabine follows a pathway with three enzymatic steps and two intermediary metabolites, 5′-Deoxy-5-fluorocytidine (5′-DFCR) and 5′-Deoxy-5-fluorouridine (5′-DFUR), to form 5-fluorouracil.

Informations sur la sécurité

• Pictogrammes: GHS08
• Mention d'avertissement: Danger
• Mentions de danger: H341,H350,H360FD
• Conseils de prudence: P201 - P202 - P280 - P308 + P313 - P405 - P501
• Classification des risques: Carc. 1B - Muta. 2 - Repr. 1B
• Code de la classe de stockage: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• Classe de danger pour l'eau (WGK): WGK 3
• Point d'éclair (°F): Not applicable
• Point d'éclair (°C): Not applicable