Pneumocandin B0

Pneumocandin B0 is an antifungal lipopeptide that acts by inhibiting the synthesis of beta-(1,3)-D-glucan, a component of fungal cell walls (IC50s = 70 and 67 ng/ml for inhibiting glucan synthase in C. albicans and A. fumigatus, respectively). It can be used to synthesize the echinocandin caspofungin (Cay-15923).Formal Name: (3S)-(4R,5R)-N2-[(10R,12S)-10,12-dimethyl-1-oxotetradecyl]-4,5-dihydroxy-L-ornithyl-L-threonyl-(4R)-4-hydroxy-L-prolyl-(4S)-4-hydroxy-4-(4-hydroxyphenyl)-L-threonyl-(3R)-3-hydroxy-L-glutaminyl-3-hydroxy-(6->1)-lactam. CAS Number: 135575-42-7. Synonyms: Hydroxy Echinocandin, L-688,786. Molecular Formula: C50H80N8O17. Formula Weight: 1065.2. Purity: >95%. Formulation: (Request formulation change), A solid. Solubility: DMSO: soluble, Ethanol: soluble. SMILES: O=C(N1[C@@]([H])([C@H](CC1)O)C(N[C@H](O)[C@H](O)C[C@H](NC(CCCCCCCC[C@H](C[C@H](CC)C)C)=O)C(NC2[C@@H](C)O)=O)=O)[C@]([H])([C@@H](CC(N)=O)O)NC(C([C@@H]([C@@H](O)C3=CC=C(C=C3)O)O)NC([C@]4([H])C[C@H](CN4C2=O)O)=O)=O. InChi Code: InChI=1S/C50H80N8O17/c1-5-25(2)20-26(3)12-10-8-6-7-9-11-13-37(66)52-31-22-35(64)46(71)56-48(73)41-33(62)18-19-57(41)50(75)39(34(63)23-36(51)65)54-47(72)40(43(68)42(67)28-14-16-29(60)17-15-28)55-45(70)32-21-30(61)24-58(32)49(74)38(27(4)59)53-44(31)69/. InChi Key: DQXPFAADCTZLNL-RCCJUTPASA-N.