Tri-GalNAc(OAc)3 (trifluoroacetate salt)

Tri-GalNAc(OAc)3 is an intermediate in the synthesis of lysosome-targeting chimeras (LYTACs) with anticancer activity.Formal Name: 6-amino-11,17-dioxo-6-[[3-oxo-3-[[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl]oxy]pentyl]amino]propyl]amino]propoxy]methyl]-N-[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl]oxy]pentyl]amino]propyl]-21-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl]oxy]-4,8-dioxa-12,16-diazaheneicosanamide, trifluoroacetate salt. CAS Number: 1159408-65-7. Molecular Formula: C79H128N10O36 . CF3COOH. Formula Weight: 1907.9. Purity: >98%. Formulation: (Request formulation change), A solid. Solubility: DMSO: Sparingly Soluble: 1-10 mg/ml, Ethanol: Sparingly Soluble: 1-10 mg/ml, PBS (pH 7.2): Soluble: >10 mg/ml. SMILES: OC(C(F)(F)F)=O.O=C(O[C@@H]1[C@H](OC(C)=O)[C@@H](NC(C)=O)[C@H](OCCCCC(NCCCNC(CCOCC(COCCC(NCCCNC(CCCCO[C@@H]2O[C@@H]([C@@H]([C@@H]([C@H]2NC(C)=O)OC(C)=O)OC(C)=O)COC(C)=O)=O)=O)(COCCC(NCCCNC(CCCCO[C@@H]3O[C@@H]([C@@H]([C@@H]([C@H]3NC(C)=O)OC(C)=O)OC(C)=O)COC(C)=O)=O)=O)N)=O)=O)O[C@@H]1COC(C)=O)C. InChi Code: InChI=1S/C79H128N10O36.C2HF3O2/c1-46(90)87-67-73(120-55(10)99)70(117-52(7)96)58(40-114-49(4)93)123-76(67)111-34-16-13-22-61(102)81-28-19-31-84-64(105)25-37-108-43-79(80,44-109-38-26-65(106)85-32-20-29-82-62(103)23-14-17-35-112-77-68(88-47(2)91)74(121-56(11)100)71(118-53(8)97)59(124-77)41-115-50(5)94)45-110-39-27-66(107)86-33-21-30-83-63(104)24-15-18-36-113-78-69(89-48(3)92)75(122-57(12)101)72(119-54(9)98)60(125-78)42-116-51(6)95.3-2(4,5)1(6)7/h58-60,67-78H,13-45,80H2,1-12H3,(H,81,102)(H,82,103)(H,83,104)(H,84,105)(H,85,106)(H,86,107)(H,87,90)(H,88,91)(H,89,92).(H,6,7)/t58-,59-,60-,67-,68-,69-,70+,71+,72+,73-,74-,75-,76-,77-,78-./m1./s1. InChi Key: ZQQFLUVDYMPTBZ-QBHSIBJISA-N.