Acetylene-linker-Val-Cit-PABC-MMAE

For research use only. Not for therapeutic Use.

  • CAT Number: I001572
  • CAS Number: 1411977-95-1
  • Molecular Formula: C67H106N10O16
  • Molecular Weight: 1307.62
  • Purity: ≥95%
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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.


Catalog Number I001572
CAS Number 1411977-95-1
Molecular Formula C67H106N10O16
Purity ≥95%
Target Drug-Linker Conjugates for ADC
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
Reference

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

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