MC-Gly-Gly-Phe-Gly-GABA-Exatecan

• CAT Number: I040013
• CAS Number: 1599439-52-7
• Molecular Formula: C53H58FN9O12
• Molecular Weight: 1032.08
• Purity: ≥95%
• Synonyms: 6-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[[(2S)-1-[[2-[[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]amino]-4-oxobutyl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide
• InChI: InChI=1S/C53H58FN9O12/c1-3-53(74)34-22-39-49-32(27-63(39)51(72)33(34)28-75-52(53)73)48-36(16-15-31-29(2)35(54)23-37(61-49)47(31)48)59-41(65)14-10-19-55-42(66)25-58-50(71)38(21-30-11-6-4-7-12-30)60-44(68)26-57-43(67)24-56-40(64)13-8-5-9-20-62-45(69)17-18-46(62)70/h4,6-7,11-12,17-18,22-23,36,38,74H,3,5,8-10,13-16,19-21,24-28H2,1-2H3,(H,55,66)(H,56,64)(H,57,67)(H,58,71)(H,59,65)(H,60,68)/t36-,38-,53-/m0/s1
• InChIKey: FRJRDZAEHLHAGI-NFGJMFLVSA-N
• SMILES: CCC1(C2=C(COC1=O)C(=O)N3CC4=C5C(CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)NC(=O)CCCNC(=O)CNC(=O)C(CC7=CC=CC=C7)NC(=O)CNC(=O)CNC(=O)CCCCCN8C(=O)C=CC8=O)O

MC-Gly-Gly-Phe-Gly-GABA-Exatecan is an agent linker conjugate for ADC, with an inhibitor for Topoisomerase Exatecan (HY-13631) with IC50 of 22 μM. MC-Gly-Gly-Phe-Gly-GABA-Exatecan targets various antibodies, exhibits cytotoxic and antitumor efficacy in vitro and in vivo[1][2].
MC-Gly-Gly-Phe-Gly-GABA-Exatecan (0-10 μM) exhibits cytotoxicity in cells SR (CD30 positive), HL60 (CD33 positive), U251 (CD70 positive) and Calu-6 (B7-H3 positive) through functions with CD30, CD33, CD70 and B7-H3[2].
MC-Gly-Gly-Phe-Gly-GABA-Exatecan (10 mg/kg, i.v. once a week for 2 weeks) exhibits antitumor efficacy in A375 xenograft mice[2].

Reference

[1]. Hettmann T, et al., Anti-her3 antibody-drug conjugate. Patent WO2015155998

[2]. Ogitani Y, et al., Wide application of a novel topoisomerase I inhibitor-based drug conjugation technology. Bioorg Med Chem Lett. 2016 Oct 15;26(20):5069-5072.
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