PFN62958

Name: PFN62958
CAS#: 2230662-95-8
Chemical Formula: C45H69N5O9
Exact Mass: 823.5095
Molecular Weight: 824.073
Elemental Analysis: C, 65.59; H, 8.44; N, 8.50; O, 17.47

Description: PFN62958 is a useful peptide linker for synthesis of PSMA-617 (vipivotide tetraxetan), which is a ligand used to make 177Lu-PSMA-617, which is a radioactive molecule to fight cancer. PSMA-617 originally was developed at the German Cancer Research Center and the Heidelberg University Hospital. ABX held the exclusive license to bring the treatment, which targets prostate-specific membrane antigen (PSMA), through early clinical development. is a tris(tert-butyl)-protected JUN68744 derivative. 

IUPAC/Chemical Name: di-tert-butyl (((S)-6-((S)-2-((1r,4S)-4-(aminomethyl)cyclohexane-1-carboxamido)-3-(naphthalen-2-yl)propanamido)-1-(tert-butoxy)-1-oxohexan-2-yl)carbamoyl)-L-glutamate

InChi Key: PVSDVTHLYNQDRD-FUFSVGPLSA-N

InChi Code: InChI=1S/C45H69N5O9/c1-43(2,3)57-37(51)24-23-35(41(55)59-45(7,8)9)50-42(56)49-34(40(54)58-44(4,5)6)16-12-13-25-47-39(53)36(48-38(52)32-21-17-29(28-46)18-22-32)27-30-19-20-31-14-10-11-15-33(31)26-30/h10-11,14-15,19-20,26,29,32,34-36H,12-13,16-18,21-25,27-28,46H2,1-9H3,(H,47,53)(H,48,52)(H2,49,50,56)/t29-,32-,34-,35-,36-/m0/s1

SMILES Code: NC[C@H]1CC[C@H](C(N[C@@H](CC2=CC=C3C=CC=CC3=C2)C(NCCCC[C@H](NC(N[C@@H](CCC(OC(C)(C)C)=O)C(OC(C)(C)C)=O)=O)C(OC(C)(C)C)=O)=O)=O)CC1

Appearance: Solid powder