FK-506-13C,D2 (Major) (Tacrolimus)(>85%)

• CAT Number: R009169
• CAS Number: 1356841-89-8
• Molecular Formula: C44H69NO12
• Molecular Weight: 807.036
• Purity: ≥95%
• Synonyms: Advagraf-13C,D2; FR 900506-13C,D2; Fujimycin-13C,D2; L 679934-13C,D2; Prograf-13C,D2; Protopic-13C,D2; TacroBell-13C,D2; Tacrolimus-13C,D2; Tsukubaenolide-13C,D2
• Storage: -20°C
• IUPAC Name: (1R,9S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-17-(3,3-dideuterio(313C)prop-2-enyl)-1,14-dihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
• InChI: InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19?,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1/i1+1D2
• InChIKey: QJJXYPPXXYFBGM-BQRFWMDDSA-N
• SMILES: [2H][13C](=CC[C@@H]1/C=C(/C[C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)OC([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC)C)\C)[2H]

FK-506-13C,D2 (Tacrolimus) is an isotopically labeled form of tacrolimus, a potent immunosuppressant used primarily in organ transplantation to prevent rejection. The labeling with carbon-13 and deuterium enhances the compound’s utility in pharmacokinetic and metabolic studies by allowing precise tracking and quantification through mass spectrometry. This labeled version is crucial for investigating tacrolimus metabolism, improving drug monitoring, optimizing dosing strategies, and understanding its pharmacodynamics and interactions. It supports research aimed at refining immunosuppressive therapy and ensuring effective and safe transplantation outcomes.