Acetylene-linker-Val-Cit-PABC-MMAE

• CAT Number: I001572
• CAS Number: 1411977-95-1
• Molecular Formula: C67H106N10O16
• Molecular Weight: 1307.62
• Purity: ≥95%
• Solubility: 10 mM in DMSO
• Storage: Store at -20℃
• IUPAC Name: [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-[[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetyl]amino]butanoyl]amino]pentanoyl]amino]phenyl]methyl 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/C67H106N10O16/c1-16-33-90-34-35-91-36-37-92-40-53(78)73-55(41(3)4)63(83)72-50(25-21-31-69-66(68)86)62(82)71-49-29-27-47(28-30-49)39-93-67(87)76(13)57(43(7)8)64(84)74-56(42(5)6)65(85)75(12)58(44(9)17-2)52(88-14)38-54(79)77-32-22-26-51(77)60(89-15)45(10)61(81)70-46(11)59(80)48-23-19-18-20-24-48/h1,18-20,23-24,27-30,41-46,50-52,55-60,80H,17,21-22,25-26,31-40H2,2-15H3,(H,70,81)(H,71,82)(H,72,83)(H,73,78)(H,74,84)(H3,68,69,86)/t44-,45+,46+,50-,51-,52+,55-,56-,57-,58-,59+,60+/m0/s1
• InChIKey: HJNJEHBZUVWTEJ-MKXMLHHLSA-N
• SMILES: CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@H](C)[C@H](C2=CC=CC=C2)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)OCC3=CC=C(C=C3)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)COCCOCCOCC#C

Acetylene-linker-Val-Cit-PABC-MMAE (Cat.No:I001572) is a potent and selective antibody-drug conjugate (ADC) consisting of a cytotoxic agent, monomethyl auristatin E (MMAE), linked to a monoclonal antibody via a cleavable linker. It is designed to selectively target and destroy cancer cells while minimizing harm to healthy cells. This compound is currently under investigation for its therapeutic potential in cancer treatment.

Reference

[1]. PROTEIN-ACTIVE AGENT CONJUGATES AND METHOD FOR PREPARING THE SAME. WIPO Patent Application WO/2012/153193.