2748039-79-2
Chemical Structure
PSMA-Val-Cit-PAB-MMAE
- CAS No.: 2748039-79-2
- Formula:C114H165ClN20O26
- Molecular Weight:2267.10
IUPAC Name: (3S,7S,25S,28S)-25-benzyl-33-(4-(4-(((S)-1-(((S)-1-((4-((5S,8S,11S,12R)-11-((S)-sec-butyl)-12-(2-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-2-oxoethyl)-5,8-diisopropyl-4,10-dimethyl-3,6,9-trioxo-2,13-dioxa-4,7,10-triazatetradecyl)phenyl)amino)-1-oxo-5-ureidopentan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)amino)-4-oxobutyl)-1H-1,2,3-triazol-1-yl)-12-(3-chlorobenzyl)-28-(4-hydroxybenzyl)-5,13,20,23,26,29-hexaoxo-4,6,12,19,24,27,30-heptaazatritriacontane-1,3,7-tricarboxylic acid
InChIKey: HQGAXUPTPWZFGA-OESYFJANSA-N
SMILES: OC(CC[C@@H](C(O)=O)NC(N[C@@H](CCCCN(CC1=CC(Cl)=CC=C1)C(CCCCCNC(CCC(N[C@H](C(N[C@H](C(NCCCN2N=NC(CCCC(N[C@H](C(N[C@H](C(NC3=CC=C(C=C3)COC(N([C@H](C(N[C@@H](C(C)C)C(N([C@H]([C@@H](CC(N4CCC[C@]4([C@@H]([C@@H](C)C(N[C@@H]([C@H](C5=CC=CC=C5)O)C)=O)OC)[H])=O)OC)[C@@H](C)CC)C)=O)=O)C(C)C)C)=O)=O)CCCNC(N)=O)=O)C(C)C)=O)=C2)=O)CC6=CC=C(C=C6)O)=O)CC7=CC=CC=C7)=O)=O)=O)C(O)=O)=O)=O
Biological Activity: PSMA-Val-Cit-PAB-MMAE is a small-molecule conjugate targeting PSMA, with Monomethyl auristatin E (MMAE) (HY-15162) as its cytotoxic payload. PSMA-Val-Cit-PAB-MMAE binds to PSMA, thereby being delivered into PSMA-expressing prostate cancer cells. Subsequently, the Val-Cit linker is cleaved under the mediation of cathepsin B, releasing active MMAE. PSMA-Val-Cit-PAB-MMAE inhibits CYP3A4 activity (IC50 = 11.2 μM), induces intracellular ROS production and oxidative stress, disrupts the cytoskeleton through microtubule destabilization, and induces prostate cancer cell death. PSMA-Val-Cit-PAB-MMAE can be used in research related to prostate cancer[1].
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PSMA-Val-Cit-PAB-MMAE | 99.52% | PSMA-Val-Cit-PAB-MMAE is a small-molecule conjugate targeting PSMA, with Monomethyl auristatin E (MMAE) (HY-15162) as its cytotoxic payload. PSMA-Val-Cit-PAB-MMAE binds to PSMA, thereby being delivered into PSMA-expressing prostate cancer cells. Subsequently, the Val-Cit linker is cleaved under the mediation of cathepsin B, releasing active MMAE. PSMA-Val-Cit-PAB-MMAE inhibits CYP3A4 activity (IC50 = 11.2 μM), induces intracellular ROS production and oxidative stress, disrupts the cytoskeleton through microtubule destabilization, and induces prostate cancer cell death. PSMA-Val-Cit-PAB-MMAE can be used in research related to prostate cancer. | ||||||||||||||||||||
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