For research use only. Not for therapeutic Use.
(Aminooxy)acetamide-Val-Cit-PAB-MMAE(Cat No.:I041299)is a novel antibody-drug conjugate (ADC) designed for targeted cancer therapy. The structure includes a linker (Val-Cit) that connects the cytotoxic drug MMAE (monomethyl auristatin E) to a peptide sequence, (Aminooxy)acetamide-PAB, which facilitates its binding to a specific tumor-targeting antibody. This ADC allows for precise delivery of MMAE, which inhibits microtubule function and induces cell death. The combination of selective targeting and potent cytotoxicity makes (Aminooxy)acetamide-Val-Cit-PAB-MMAE a promising candidate for treating cancers with minimal off-target effects, enhancing efficacy and reducing systemic toxicity.
CAS Number | 2446645-88-9 |
Synonyms | [4-[[(2S)-2-[[(2S)-2-[(2-aminooxyacetyl)amino]-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 | C60H97N11O14 |
Purity | ≥95% |
IUPAC Name | [4-[[(2S)-2-[[(2S)-2-[(2-aminooxyacetyl)amino]-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/C60H97N11O14/c1-15-37(8)51(45(82-13)31-47(73)71-30-20-24-44(71)53(83-14)38(9)54(75)64-39(10)52(74)41-21-17-16-18-22-41)69(11)58(79)49(35(4)5)68-57(78)50(36(6)7)70(12)60(81)84-32-40-25-27-42(28-26-40)65-55(76)43(23-19-29-63-59(61)80)66-56(77)48(34(2)3)67-46(72)33-85-62/h16-18,21-22,25-28,34-39,43-45,48-53,74H,15,19-20,23-24,29-33,62H2,1-14H3,(H,64,75)(H,65,76)(H,66,77)(H,67,72)(H,68,78)(H3,61,63,80)/t37-,38+,39+,43-,44-,45+,48-,49-,50-,51-,52+,53+/m0/s1 |
InChIKey | FEBOYCQLTPBAFA-BKOKITGHSA-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)CON |