MC-VA-PAB-Exatecan

For research use only. Not for therapeutic Use.

  • CAT Number: I043408
  • CAS Number: 2680543-57-9
  • Molecular Formula: C50H54FN7O11
  • Molecular Weight: 948.00
  • Purity: ≥95%
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MC-VA-PAB-Exatecan(Cat No.:I043408)is a peptide-drug conjugate designed to selectively deliver the cytotoxic drug Exatecan to cancer cells. The structure consists of a peptide sequence (MC-VA) linked to Exatecan, a potent topoisomerase I inhibitor, via a cleavable p-aminobenzyl alcohol (PAB) linker. This design enables targeted therapy by allowing the peptide to bind specifically to receptors on tumor cells, facilitating the uptake of Exatecan. Once inside the cell, the PAB linker is cleaved, releasing Exatecan to inhibit DNA replication, thereby inducing cell death and offering a targeted approach to cancer treatment.


CAS Number 2680543-57-9
Synonyms

[4-[[(2S)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]phenyl]methyl N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]carbamate

Molecular Formula C50H54FN7O11
Purity ≥95%
IUPAC Name [4-[[(2S)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]phenyl]methyl N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]carbamate
InChI InChI=1S/C50H54FN7O11/c1-6-50(67)33-20-37-44-31(22-58(37)47(64)32(33)24-68-48(50)65)42-35(16-15-30-26(4)34(51)21-36(54-44)41(30)42)55-49(66)69-23-28-11-13-29(14-12-28)53-45(62)27(5)52-46(63)43(25(2)3)56-38(59)10-8-7-9-19-57-39(60)17-18-40(57)61/h11-14,17-18,20-21,25,27,35,43,67H,6-10,15-16,19,22-24H2,1-5H3,(H,52,63)(H,53,62)(H,55,66)(H,56,59)/t27-,35-,43-,50-/m0/s1
InChIKey XGNNYZHNEVPQOR-HRNGGSBDSA-N
SMILES CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)NC(=O)OCC7=CC=C(C=C7)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)CCCCCN8C(=O)C=CC8=O)O
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