DBM-MMAE - CAS 1912408-87-7 Catalog number: BADC-01413

Description

DBM-MMAE is a thiol-reactive drug-linker conjugate used in the synthesis of antibody-drug conjugates (ADCs).

Synonyms

6-(3,4-dibromo-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-((S)-1-(((S)-1-(((3R,4S,5S)-1-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl)(methyl)amino)-3-methyl-1-oxobutan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)-N-methylhexanamide; L-Valinamide, N-[6-(3,4-dibromo-2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl]-N-methyl-L-valyl-N-[(1S,2R)-4-[(2S)-2-[(1R,2R)-3-[[(1R,2S)-2-hydroxy-1-methyl-2-phenylethyl]amino]-1-methoxy-2-methyl-3-oxopropyl]-1-pyrrolidinyl]-2-methoxy-1-[(1S)-1-methylpropyl]-4-oxobutyl]-N-methyl-; N-[6-(3,4-Dibromo-2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl]-N-methyl-L-valyl-N-[(1S,2R)-4-[(2S)-2-[(1R,2R)-3-[[(1R,2S)-2-hydroxy-1-methyl-2-phenylethyl]amino]-1-methoxy-2-methyl-3-oxopropyl]-1-pyrrolidinyl]-2-methoxy-1-[(1S)-1-methylpropyl]-4-oxobutyl]-N-methyl-L-valinamide

IUPAC Name

6-(3,4-dibromo-2,5-dioxopyrrol-1-yl)-N-[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylhexanamide

Canonical SMILES

CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(C)C(C2=CC=CC=C2)O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C(=O)CCCCCN3C(=O)C(=C(C3=O)Br)Br

InChI

InChI=1S/C49H76Br2N6O10/c1-13-30(6)42(35(66-11)27-37(59)56-26-20-23-34(56)44(67-12)31(7)45(61)52-32(8)43(60)33-21-16-14-17-22-33)55(10)49(65)40(28(2)3)53-46(62)41(29(4)5)54(9)36(58)24-18-15-19-25-57-47(63)38(50)39(51)48(57)64/h14,16-17,21-22,28-32,34-35,40-44,60H,13,15,18-20,23-27H2,1-12H3,(H,52,61)(H,53,62)/t30-,31+,32+,34-,35+,40-,41-,42-,43+,44+/m0/s1

InChIKey

LCCOGRCIWHHOIG-SWBKYIDTSA-N

Density

1.302±0.06 g/cm3

Boiling Point

1053.5±65.0°C at 760 mmHg