Mc-Alanyl-Alanyl-Asparagine-PAB-MMAE

• CAT Number: I043432
• CAS Number: 1638970-46-3
• Molecular Formula: C67H101N11O16
• Molecular Weight: 1316.58
• Purity: ≥95%
• 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
• 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: 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)OCC3=CC=C(C=C3)NC(=O)C(CC(=O)N)NC(=O)C(C)NC(=O)C(C)NC(=O)CCCCCN4C(=O)C=CC4=O

Mc-Alanyl-Alanyl-Asparagine-PAB-MMAE (compound S6) is a potent anticancer agent, which can be specific activated by tumor microenvironment. Mc-Alanyl-Alanyl-Asparagine-PAB-MMAE can suppress tumor growth in mice (extracted from patent CN104147612A)[1].
Mc-Alanyl-Alanyl-Asparagine-PAB-MMAE (compound S6) (26.2 micro-rubbing/kg, IV, weekly for 4 weeks) suppresses tumor growth in mice bearing Panc-1 tumor[1].

Reference

[1]. Liu Chen, et al. Tumor microenvironment specific activated micromolecular targeted conjugate and application thereof. CN104147612A.