Mc-Alanyl-Alanyl-Asparagine-PAB-MMAE

For research use only. Not for therapeutic Use.

  • CAT Number: I043432
  • CAS Number: 1638970-46-3
  • Molecular Formula: C67H101N11O16
  • Molecular Weight: 1316.58
  • Purity: ≥95%
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Mc-Alanyl-Alanyl-Asparagine-PAB-MMAE(Cat No.:I043432)is a peptide-drug conjugate designed for targeted cancer therapy. This compound consists of a peptide sequence (Mc-Alanyl-Alanyl-Asparagine) linked to a potent cytotoxic agent, monomethyl auristatin E (MMAE), via a cleavable linker, PAB (p-aminobenzyl alcohol). The peptide sequence selectively binds to specific receptors on cancer cells, facilitating the delivery of MMAE directly to the tumor site. Once internalized, the PAB linker is cleaved, releasing MMAE to induce cell cycle arrest and apoptosis in cancer cells, making Mc-Alanyl-Alanyl-Asparagine-PAB-MMAE a promising candidate for cancer treatment.


CAS Number 1638970-46-3
Synonyms

[4-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]propanoyl]amino]propanoyl]amino]-4-oxobutanoyl]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

Molecular Formula C67H101N11O16
Purity ≥95%
IUPAC Name [4-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]propanoyl]amino]propanoyl]amino]-4-oxobutanoyl]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/C67H101N11O16/c1-15-40(6)58(50(92-13)36-55(83)77-34-22-25-49(77)60(93-14)41(7)61(85)70-42(8)59(84)46-23-18-16-19-24-46)75(11)66(90)56(38(2)3)74-65(89)57(39(4)5)76(12)67(91)94-37-45-27-29-47(30-28-45)72-64(88)48(35-51(68)79)73-63(87)44(10)71-62(86)43(9)69-52(80)26-20-17-21-33-78-53(81)31-32-54(78)82/h16,18-19,23-24,27-32,38-44,48-50,56-60,84H,15,17,20-22,25-26,33-37H2,1-14H3,(H2,68,79)(H,69,80)(H,70,85)(H,71,86)(H,72,88)(H,73,87)(H,74,89)/t40-,41+,42+,43-,44-,48-,49-,50+,56-,57-,58-,59+,60+/m0/s1
InChIKey AWJDDTWUHNATEN-NAMAUAOVSA-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](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCCCCN4C(=O)C=CC4=O
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