Name: Asn-Pro-Val-PABC-MMAE (TFA)
Brand: BOC Sciences
Rating: 5 (1 reviews)

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IUPAC Name

[4-[[(2S)-2-[[(2S)-1-[(2S)-2,4-diamino-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]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;2,2,2-trifluoroacetic acid

Canonical 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(C)C)NC(=O)C4CCCN4C(=O)C(CC(=O)N)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C61H96N10O13.C2HF3O2/c1-15-37(8)52(46(82-13)32-48(73)70-29-19-23-44(70)54(83-14)38(9)55(75)64-39(10)53(74)41-21-17-16-18-22-41)68(11)60(80)50(35(4)5)67-58(78)51(36(6)7)69(12)61(81)84-33-40-25-27-42(28-26-40)65-57(77)49(34(2)3)66-56(76)45-24-20-30-71(45)59(79)43(62)31-47(63)72;3-2(4,5)1(6)7/h16-18,21-22,25-28,34-39,43-46,49-54,74H,15,19-20,23-24,29-33,62H2,1-14H3,(H2,63,72)(H,64,75)(H,65,77)(H,66,76)(H,67,78);(H,6,7)/t37-,38+,39+,43-,44-,45-,46+,49-,50-,51-,52-,53+,54+;/m0./s1

InChIKey

YJEOYBSNSJPQHG-YMRSECHSSA-N

Asn-Pro-Val-PABC-MMAE (TFA) is a peptide-drug conjugate (PDC) utilized in cancer therapy and drug delivery systems due to its ability to selectively target and kill cancer cells. Here are some key applications of Asn-Pro-Val-PABC-MMAE (TFA):

Targeted Cancer Therapy: Asn-Pro-Val-PABC-MMAE (TFA) is used to deliver the cytotoxic drug MMAE directly to cancer cells, minimizing damage to healthy cells. This selective targeting is achieved through the conjugation of MMAE to a peptide that binds specifically to cancer cell markers. This approach enhances the efficacy of the drug while reducing systemic toxicity, thereby improving patient outcomes.

Drug Delivery Research: Researchers use Asn-Pro-Val-PABC-MMAE (TFA) as a model compound to study the pharmacokinetics and biodistribution of peptide-drug conjugates. By analyzing how this PDC is metabolized and distributed in the body, scientists can optimize the design of new PDCs for various therapeutic purposes. This research is critical in improving the precision and effectiveness of drug delivery systems.

Combination Therapy Studies: Asn-Pro-Val-PABC-MMAE (TFA) can be combined with other therapeutic agents to achieve synergistic effects in cancer treatment. By pairing this PDC with immunotherapies or other chemotherapeutic agents, researchers can investigate potential enhancements in treatment efficacy. These studies are essential for developing comprehensive and effective cancer treatment regimens.

Diagnostics Development: Asn-Pro-Val-PABC-MMAE (TFA) is useful in diagnostics to identify cancer types that express specific markers targeted by the peptide component. By using this PDC in imaging studies, clinicians can potentially visualize tumors and assess the expression of target markers. This facilitates more precise cancer diagnoses and personalized treatment planning.

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