Mal-Gly-PAB-Exatecan-D-glucuronic acid

For research use only. Not for therapeutic Use.

  • CAT Number: I041302
  • CAS Number: 2763252-25-9
  • Molecular Formula: C47H45FN6O17
  • Molecular Weight: 984.89
  • Purity: ≥95%
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Mal-Gly-PAB-Exatecan-D-glucuronic acid(Cat No.:I041302)is a targeted prodrug designed for selective cancer therapy. It combines a maleimide (Mal) group for conjugation with targeting agents, a glycine (Gly) spacer, and para-aminobenzoic acid (PAB) to improve stability. Exatecan, a potent chemotherapy drug, is linked to the molecule, while D-glucuronic acid provides a means for enzymatic cleavage and activation. Once the prodrug reaches the target site, the drug is released, enhancing therapeutic efficacy while minimizing toxicity. This approach aims to improve the precision and effectiveness of chemotherapy, particularly in treating tumors.


CAS Number 2763252-25-9
Synonyms

(2S,3S,4S,5R,6S)-6-[2-[[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetyl]amino]-4-[[(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]carbamoyloxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Molecular Formula C47H45FN6O17
Purity ≥95%
IUPAC Name (2S,3S,4S,5R,6S)-6-[2-[[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetyl]amino]-4-[[(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]carbamoyloxymethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI InChI=1S/C47H45FN6O17/c1-3-47(67)24-13-29-37-22(16-54(29)42(62)23(24)18-68-45(47)65)36-26(6-5-21-19(2)25(48)14-28(51-37)35(21)36)52-46(66)69-17-20-4-7-30(70-44-40(61)38(59)39(60)41(71-44)43(63)64)27(12-20)50-32(56)15-49-31(55)10-11-53-33(57)8-9-34(53)58/h4,7-9,12-14,26,38-41,44,59-61,67H,3,5-6,10-11,15-18H2,1-2H3,(H,49,55)(H,50,56)(H,52,66)(H,63,64)/t26-,38-,39-,40+,41-,44+,47-/m0/s1
InChIKey UNHOOUVLRYPIIK-VBWIOPQNSA-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)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)C(=O)O)O)O)O)NC(=O)CNC(=O)CCN9C(=O)C=CC9=O)O

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