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

• CAT Number: I041302
• CAS Number: 2763252-25-9
• Molecular Formula: C47H45FN6O17
• Molecular Weight: 984.89
• Purity: ≥95%
• 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
• 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: CCC1(C2=C(COC1=O)C(=O)N3CC4=C5C(CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)NC(=O)OCC7=CC(=C(C=C7)OC8C(C(C(C(O8)C(=O)O)O)O)O)NC(=O)CNC(=O)CCN9C(=O)C=CC9=O)O

Mal-Gly-PAB-Exatecan-D-glucuronic acid can be used for Antibody-Drug Conjugates (ADCs) synthesis. Mal-Gly-PAB-Exatecan-D-glucuronic acid can be used for research of tumor research and diagnosis[1].

Reference

[1]. Anderl Jan, et al. Anti-CEACAM5 antibodies and conjugates and uses thereof. World Intellectual Property Organization, WO2022048883 A1. 2022-03-10.