For research use only. Not for therapeutic Use.
Val-Ala-PAB-MMAE is a Drug-Linker Conjugate for ADC, consisting of ADC linker (Val-Ala-PAB) and MMAE. MMAE is an effective inhibitor of tubulin.
| Catalog Number | I040794 |
| CAS Number | 1912408-92-4 |
| Synonyms | [4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]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 | C55H88N8O11 |
| Purity | ≥95% |
| InChI | InChI=1S/C55H88N8O11/c1-16-34(8)47(42(72-14)29-43(64)63-28-20-23-41(63)49(73-15)35(9)50(66)57-36(10)48(65)39-21-18-17-19-22-39)61(12)54(70)45(32(4)5)60-53(69)46(33(6)7)62(13)55(71)74-30-38-24-26-40(27-25-38)59-51(67)37(11)58-52(68)44(56)31(2)3/h17-19,21-22,24-27,31-37,41-42,44-49,65H,16,20,23,28-30,56H2,1-15H3,(H,57,66)(H,58,68)(H,59,67)(H,60,69)/t34-,35+,36+,37-,41-,42+,44-,45-,46-,47-,48+,49+/m0/s1 |
| InChIKey | MTXKKTCVANNYBH-AXWSPWQFSA-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(C)NC(=O)C(C(C)C)N |
