Caspofungin (acetate)

Caspofungin is an echinocandin antifungal originally isolated from G. lozoyensis and a derivative of pneumocandin B0 (Cay-21527). It is active against 3,959 Candida clinical isolates (MIC90 = 1 µg/ml), including isolates resistant to fluconazole (Cay-11594) or itraconazole (Cay-13288), as well as 38 Aspergillus clinical isolates, including A. flavus, A. niger, A. terreus, and A. fumigatus (MICs = 50 = 0.6 nM in C. albicans membrane preparations). It increases survival in mouse models of disseminated candidiasis or aspergillosis.Formal Name: 1-[(4R,5S)-5-[(2-aminoethyl)amino]-N2-[(10R,12S)-10,12-dimethyl-1-oxotetradecyl]-4-hydroxy-L-ornithine]-5-[(3R)-3-hydroxy-lornithine]-pneumocandin B0 acetate (1:2). CAS Number: 179463-17-3. Synonyms: L-743,872, MK 0991. Molecular Formula: C52H88N10O15 . 2C2H4O2. Formula Weight: 1213.4. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 20 mg/ml, DMSO: 25 mg/ml, Ethanol: 20 mg/ml, PBS (pH 7.2): 3 mg/ml. 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)NCCN)=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). InChi Key: OGUJBRYAAJYXQP-IJFZAWIJSA-N.