N-Acetyl-Lys-Octreotide Trifluoroacetic Acid Salt

CAS: 173606-11-6

Ref. TR-O239935

Product Information

• Name: N-Acetyl-Lys-Octreotide Trifluoroacetic Acid Salt
• Synonyms: D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-N6-acetyl-L-lysyl-L-threonyl-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl]-L-Cysteinamide-cyclic (2→7)-disulfide Trifluoroacetic Acid Salt, [R-(R*,R*)]-D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-N6-acetyl-L-lysyl-L-threonyl-N-[2-hydroxy-1-(hydroxymethyl)propyl]-L-cysteinamide-cyclic (2→7)-disulfide Trifluoroacetic Acid Salt
• Brand: TRC
• Description: Stability HygroscopicApplications N-Acetyl-Phe-Octreotide is used as reactant/reagent in inhibition of octreotide acylation inside PLGA microspheres by derivatization of amines of peptide with self-immolative protecting group.References Shirangi, M., et al.: Bioconjugate Chem., 27, 576-585 (2016)

Chemical properties

• Molecular weight: 1061.284
• Formula: C₅₁H₆₈N₁₀O₁₁S₂·xC₂HF₃O₂
• Color/Form: Neat
• InChI: InChI=1S/C51H68N10O11S2.C2HF3O2/c1-29(63)41(26-62)58-50(71)43-28-74-73-27-42(59-45(66)36(52)22-32-14-6-4-7-15-32)49(70)56-39(23-33-16-8-5-9-17-33)47(68)57-40(24-34-25-54-37-19-11-10-18-35(34)37)48(69)55-38(20-12-13-21-53-31(3)65)46(67)61-44(30(2)64)51(72)60-43;3-2(4,5)1(6)7/h4-11,14-19,25,29-30,36,38-44,54,62-64H,12-13,20-24,26-28,52H2,1-3H3,(H,53,65)(H,55,69)(H,56,70)(H,57,68)(H,58,71)(H,59,66)(H,60,72)(H,61,67);(H,6,7)/t29-,30-,36-,38+,39+,40?,41-,42+,43+,44+;/m1./s1
• InChI key: InChIKey=FAOHZHGNSRSBJG-ICWBTAAZSA-N
• SMILES: CC(=O)NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC1=O.O=C(O)C(F)(F)F