20(3'-Oxo-caspofungin) Triflate Salt

CAS: 1201042-11-6

Ref. TR-O849620

Informação sobre produto

• Nome: 20(3'-Oxo-caspofungin) Triflate Salt
• Sinónimos: 1-[(4R,5S)-5-[(2-Aminoethyl)amino]-N2-(10,12-dimethyl-1-oxotetradecyl)-4-hydroxy-L-ornithine]-1,1,1-trifluoromethanesulfonate Pneumocandin B0

Descrição

Applications 20(3'-Oxo-caspofungin) Triflate Salt is derived from Pneumocandin B0 (P645300), which is the major analogue of a family of lipopeptides isolated from several species of several different genera, such as Cryptosporiopsis, Glarea and Pezicula. Pneumocandin B0 is a potent antifungal and acts by inhibition of the synthesis of β-(1,3)-D-glucan, an essential component of the cell wall of susceptible fungi.
References Schwartz, R., et al.: J. Antibiot., 45, 1853 (1992); Petersen, L., et al.: Appl. Microbiol. Biotechnol., 62, 263 (2003), Petersen, L., et al.: Appl. Microbiol. Biotechnol., 62, 263 (2003)

• Marca: TRC

Propriedades químicas

• Peso molecular: 1107.30 + x(150.08)
• Fórmula: C₅₂H₈₆N₁₀O₁₆•x(CHF₃O₃S)
• Cor/forma: Neat
• InChI: InChI=1S/C52H86N10O16.CHF3O3S/c1-5-27(2)22-28(3)12-10-8-6-7-9-11-13-39(70)56-33-24-37(68)46(55-20-19-53)60-50(76)43-35(66)18-21-61(43)52(78)41(36(67)25-38(54)69)58-49(75)42(45(72)44(71)30-14-16-31(64)17-15-30)59-48(74)34-23-32(65)26-62(34)51(77)40(29(4)63)57-47(33)73;2-1(3,4)8(5,6)7/h14-17,27-29,32-37,40-46,55,63-68,71-72H,5-13,18-26,53H2,1-4H3,(H2,54,69)(H,56,70)(H,57,73)(H,58,75)(H,59,74)(H,60,76);(H,5,6,7)/t27-,28+,29+,32+,33-,34-,35-,36+,37+,40-,41-,42-,43-,44-,45-,46+;/m0./s1
• Chave InChI: InChIKey=IAXFFRYLXGHKJY-FIOVEPDUSA-N
• SMILES: CC[C@H](C)C[C@H](C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@H](NCCN)NC(=O)C2[C@@H](O)CCN2C(=O)[C@H]([C@H](O)CC(N)=O)NC(=O)[C@H]([C@H](O)[C@@H](O)c2ccc(O)cc2)NC(=O)C2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)O)NC1=O.O=S(=O)(O)C(F)(F)F