Cyclosporin A-13C2,d4（Cat No.:S000527） is an isotopically labeled version of cyclosporin A, where two carbon atoms are replaced with carbon-13 (13C) isotopes and four hydrogen atoms with deuterium (d4). Cyclosporin A is a potent immunosuppressant widely used to prevent organ transplant rejection and to treat autoimmune diseases. The incorporation of these isotopes enhances the compound’s stability and makes it more traceable in metabolic and pharmacokinetic studies. This information is critical in optimizing therapeutic regimes, understanding drug metabolism, and improving the drug’s efficacy and safety profile in clinical settings.
| Catalog Number | S000527 |
| Molecular Formula | C6013C2H107D4N11O12 |
| Purity | ≥95% |
| IUPAC Name | (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-33-[(E,1R,2R)-5,6,6,6-tetradeuterio-1-hydroxy-2-methyl(5,6-13C2)hex-4-enyl]-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone |
| InChI | InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1/i1+1D3,25+1D |
| InChIKey | PMATZTZNYRCHOR-CJHZWUGHSA-N |
| SMILES | CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C |
