PDS-MMAE

• CAT Number: I040785
• CAS Number: 1613113-44-2
• Molecular Formula: C47H74N6O9S2
• Molecular Weight: 931.26
• Purity: ≥95%
• Synonyms: 2-(pyridin-2-yldisulfanyl)ethyl N-[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate
• InChI: InChI=1S/C47H74N6O9S2/c1-13-31(6)41(36(60-11)28-38(54)53-25-19-22-35(53)43(61-12)32(7)44(56)49-33(8)42(55)34-20-15-14-16-21-34)51(9)46(58)39(29(2)3)50-45(57)40(30(4)5)52(10)47(59)62-26-27-63-64-37-23-17-18-24-48-37/h14-18,20-21,23-24,29-33,35-36,39-43,55H,13,19,22,25-28H2,1-12H3,(H,49,56)(H,50,57)/t31-,32+,33+,35-,36+,39-,40-,41-,42+,43+/m0/s1
• InChIKey: OIAAMCWDLWIBBL-RKLRMWCISA-N
• SMILES: CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(C)C(C2=CC=CC=C2)O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C(=O)OCCSSC3=CC=CC=N3

PDS-MMAE (Compound 5’) is a modified MMAE (HY-15162). PDS-MMAE can be used for preparation of neurotensin receptor binding conjugates[1].

Reference

[1]. Mark T. Bilodeau, et al. Neurotensin receptor binding conjugates and formulations thereof. Patent. WO2017180834.