DM21

• CAT Number: I044402
• CAS Number: 2243689-80-5
• Molecular Formula: C58H83ClN8O16S
• Molecular Weight: 1215.84
• Purity: ≥95%
• Synonyms: [(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[6-[[[(2S)-2-[[(2R)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]propanoyl]amino]propanoyl]amino]propanoyl]amino]methylsulfanyl]hexanoyl-methylamino]propanoate
• InChI: InChI=1S/C58H83ClN8O16S/c1-33-19-18-20-43(80-11)58(78)31-42(81-56(77)64-58)34(2)51-57(7,83-51)44(30-49(72)66(9)40-28-39(27-33)29-41(79-10)50(40)59)82-55(76)38(6)65(8)46(69)22-15-13-17-26-84-32-60-52(73)35(3)62-54(75)37(5)63-53(74)36(4)61-45(68)21-14-12-16-25-67-47(70)23-24-48(67)71/h18-20,23-24,28-29,34-38,42-44,51,78H,12-17,21-22,25-27,30-32H2,1-11H3,(H,60,73)(H,61,68)(H,62,75)(H,63,74)(H,64,77)/b20-18+,33-19+/t34-,35+,36+,37-,38+,42+,43-,44+,51+,57+,58+/m1/s1
• InChIKey: SJIJPSFCGJDQNG-JKHFOZOJSA-N
• SMILES: CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)C(C)N(C)C(=O)CCCCCSCNC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)CCCCCN5C(=O)C=CC5=O)C)C)OC)(NC(=O)O2)O

DM21 is a conjugate of a cleavable ADC agent and a linker (ADC linker) used in the synthesis of antibody-drug conjugates (ADCs)[1].
ADCs are comprised of an antibody to which is attached an ADC cytotoxin through an ADC linker.

Reference

[1]. Scott A. Hilderbrand, et al. Methods of preparing cell-binding agent-drug conjugates. WO2020191306A1.