MC-Gly-Gly-Phe-Gly-(S)-Cyclopropane-Exatecan

• CAT Number: I041989
• CAS Number: 2414254-52-5
• Molecular Formula: C55H60FN9O13
• Molecular Weight: 1074.12
• Purity: ≥95%
• Synonyms: N-[2-[[2-[[(2S)-1-[[2-[[(1S)-1-cyclopropyl-2-[[(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]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-6-(2,5-dioxopyrrol-1-yl)hexanamide
• InChI: InChI=1S/C55H60FN9O13/c1-3-55(76)35-21-40-49-33(26-65(40)53(74)34(35)27-77-54(55)75)48-37(16-15-32-29(2)36(56)22-38(62-49)47(32)48)63-52(73)50(31-13-14-31)78-28-60-43(68)24-59-51(72)39(20-30-10-6-4-7-11-30)61-44(69)25-58-42(67)23-57-41(66)12-8-5-9-19-64-45(70)17-18-46(64)71/h4,6-7,10-11,17-18,21-22,31,37,39,50,76H,3,5,8-9,12-16,19-20,23-28H2,1-2H3,(H,57,66)(H,58,67)(H,59,72)(H,60,68)(H,61,69)(H,63,73)/t37-,39-,50-,55-/m0/s1
• InChIKey: WKCCHLIWLNJSMH-DVXRIDOZSA-N
• SMILES: CCC1(C2=C(COC1=O)C(=O)N3CC4=C5C(CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)NC(=O)C(C7CC7)OCNC(=O)CNC(=O)C(CC8=CC=CC=C8)NC(=O)CNC(=O)CNC(=O)CCCCCN9C(=O)C=CC9=O)O

MC-Gly-Gly-Phe-Gly-(R)-Cyclopropane-Exatecan is a agent-linker conjugates for ADC, consisting Exatecan (HY-13631). Exatecan is a DNA Topoisomerase I inhibitor (IC50=2.2 μM)[1].

Reference

[1]. Ying Hua, et al. Anti-B7H3 antibody-exatecan analog conjugate and medicinal use thereof: World Intellectual Property Organization, WO2020063673. 2020-04-02.