Caspofungin-d4 (acetate)

Caspofungin-d4 (acetate) is intended for use as an internal standard for the quantification of caspofungin (Cay-15923) by GC- or LC-MS. Caspofungin is an antifungal compound that is classified as an echinocandin, as it acts by noncompetititvely inhibiting the enzyme 1,3-beta glucan synthase and preventing the synthesis of glucan in the fungal cell wall. It is effective against disseminated or invasive aspergillosis and candidiasis. Caspofungin has a 50% minimum effective concentration against Aspergillus spp. of 0.015 µg/ml. It does not antagonize other antifungal compounds, like amphotericin B, and, in some cases, may show additive or synergistic activity.Formal Name: 1-[(4R,5S)-5-[(2-aminoethyl-1,1,2,2-d4)amino]-N2-(10,12-dimethyl-1-oxotetradecyl)-4-hydroxy-L-ornithine]-5-[(3R)-3-hydroxy-L-ornithine]-pneumocandin B0, diacetate. Molecular Formula: C52H84D4N10O15 . 2C2H4O2. Formula Weight: 1217.5. Purity: >99% deuterated forms (d1-d4). Formulation: (Request formulation change), A solid. Solubility: Methanol: slightly soluble, Water: slightly, heated. SMILES: O=C([C@](NC1=O)([H])[C@@H]([C@@H](O)C2=CC=C(C=C2)O)O)N[C@]([H])(C(N3[C@@]([H])([C@H](CC3)O)C(N[C@@H]([C@@H](C[C@@H](C(N[C@@](C(N4[C@]1(C[C@H](C4)O)[H])=O)([H])[C@@H](C)O)=O)NC(CCCCCCCC[C@H](C[C@H](CC)C)C)=O)O)NC([2H])([2H])C([2H])([2H])N)=O)=O)[C@@H](CCN)O.CC(O)=O.CC(O)=O. InChi Code: InChI=1S/C52H88N10O15.2C2H4O2/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(69)56-34-26-38(68)46(55-22-21-54)60-50(75)43-37(67)19-23-61(43)52(77)41(36(66)18-20-53)58-49(74)42(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)35-25-33(65)27-62(35)51(76)40(30(4)63)57-47(34)72,2*1-2(3)4/h14-17,28-30,33-38,40-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,74)(H,59,73)(H,60,75),2*1H3,(H,3,4)/t28-,29+,30+,33+,34-,35-,36+,37-,38+,40-,41-,42-,43-,44-,45-,46-,,/m0../s1/i21D2,22D2,,. InChi Key: OGUJBRYAAJYXQP-WRMURXPLSA-N.