For research use only. Not for therapeutic Use.
DM4-SMCC is a agent-linker conjugate for ADC with antitumor activity by using DM4 (an antitubulin agent), linked via the non-cleavable SMCC linker[1].
| Catalog Number | I017860 |
| CAS Number | 1228105-52-9 |
| Synonyms | (2,5-dioxopyrrolidin-1-yl) 4-[[3-[5-[[(2S)-1-[[(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]oxy]-1-oxopropan-2-yl]-methylamino]-2-methyl-5-oxopentan-2-yl]sulfanyl-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate |
| Molecular Formula | C54H72ClN5O16S |
| Purity | ≥95% |
| InChI | InChI=1S/C54H72ClN5O16S/c1-29-12-11-13-39(72-10)54(70)27-37(73-51(69)56-54)30(2)47-53(6,75-47)40(26-44(64)58(8)35-23-33(22-29)24-36(71-9)46(35)55)74-49(67)31(3)57(7)41(61)20-21-52(4,5)77-38-25-45(65)59(48(38)66)28-32-14-16-34(17-15-32)50(68)76-60-42(62)18-19-43(60)63/h11-13,23-24,30-32,34,37-40,47,70H,14-22,25-28H2,1-10H3,(H,56,69)/b13-11+,29-12+/t30-,31+,32?,34?,37+,38?,39-,40+,47+,53+,54+/m1/s1 |
| InChIKey | VYNFFBGYRBMGDS-NPCPMBKGSA-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)CCC(C)(C)SC5CC(=O)N(C5=O)CC6CCC(CC6)C(=O)ON7C(=O)CCC7=O)C)C)OC)(NC(=O)O2)O |
| Reference | [1]. Singh R, et al. A New Triglycyl Peptide Linker for Antibody-Drug Conjugates (ADCs) with Improved TargetedKilling of Cancer Cells. Mol Cancer Ther. 2016 Jun;15(6):1311-20. |
