For research use only. Not for therapeutic Use.
Azido-PEG4-Val-Cit-PAB-MMAE（Cat No.:I044706）is a targeted drug delivery compound, often used in antibody-drug conjugates (ADCs) for cancer therapy. It features an azido group for click chemistry conjugation, enabling precise attachment to targeting agents. The PEG4 (polyethylene glycol) linker improves solubility and biocompatibility. The Val-Cit dipeptide serves as a cleavable linker, enabling the release of the cytotoxic MMAE (monomethyl auristatin E) after internalization by target cells. The PAB (para-aminobenzyl) group aids in stability and conjugation. This structure facilitates selective drug delivery, enhancing the efficacy and reducing off-target effects in cancer treatments.
| CAS Number | 1869126-64-6 |
| Synonyms | [4-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]-5-(carbamoylamino)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 |
| Molecular Formula | C69H113N13O17 |
| Purity | ≥95% |
| IUPAC Name | [4-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]-5-(carbamoylamino)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/C69H113N13O17/c1-15-46(8)60(54(93-13)41-56(84)82-32-20-24-53(82)62(94-14)47(9)63(86)74-48(10)61(85)50-21-17-16-18-22-50)80(11)67(90)58(44(4)5)78-66(89)59(45(6)7)81(12)69(92)99-42-49-25-27-51(28-26-49)75-64(87)52(23-19-30-72-68(70)91)76-65(88)57(43(2)3)77-55(83)29-33-95-35-37-97-39-40-98-38-36-96-34-31-73-79-71/h16-18,21-22,25-28,43-48,52-54,57-62,85H,15,19-20,23-24,29-42H2,1-14H3,(H,74,86)(H,75,87)(H,76,88)(H,77,83)(H,78,89)(H3,70,72,91)/t46-,47+,48+,52-,53-,54+,57-,58-,59-,60-,61+,62+/m0/s1 |
| InChIKey | PDBSIBYOBPJSRL-SFLKBQQHSA-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)CCOCCOCCOCCOCCN=[N+]=[N-] |
| Chemistry Calculators | Dilution Calculator In vivo Formulation Calculator Molarity Calculator Molecular Weight Calculator Reconstitution Calculator |
