For research use only. Not for therapeutic Use.
Lys-SMCC-DM1 (Lys-Nε-MCC-DM1) is a agent-linker conjugates for ADC that can inhibit tubulin polymerization. Lys-SMCC-DM1 is the active metabolite of T-DM1. T-DM1 is a HER2-targeting ADC with a tubulin polymerization inhibitor DM1. Lys-SMCC-DM1 can be used in the research of breast cancer[1][2].
Lys-SMCC-DM1 possess a low level of permeability[1].
Lys-SMCC-DM1 shows cytotoxicity in KPL-4 and MDA-MB-468 cells, with IC50 of 24.8 nM and 40.5 nM respectively[2].
Lys-SMCC-DM1 (200 μM) inhibits the SLC46A3-mediated uptake of estrone 3-sulfate in MDCKII/SLC46A3 dC cells[2].
| Catalog Number | R062136 |
| CAS Number | 1281816-04-3 |
| Synonyms | (2S)-2-amino-6-[[4-[[(3S)-3-[3-[[(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]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]methyl]cyclohexanecarbonyl]amino]hexanoic acid |
| Molecular Formula | C53H75ClN6O15S |
| Purity | ≥95% |
| InChI | InChI=1S/C53H75ClN6O15S/c1-29-12-11-14-40(72-8)53(70)27-38(73-51(69)57-53)30(2)46-52(4,75-46)41(26-43(62)59(6)36-23-33(22-29)24-37(71-7)45(36)54)74-50(68)31(3)58(5)42(61)19-21-76-39-25-44(63)60(48(39)65)28-32-15-17-34(18-16-32)47(64)56-20-10-9-13-35(55)49(66)67/h11-12,14,23-24,30-32,34-35,38-41,46,70H,9-10,13,15-22,25-28,55H2,1-8H3,(H,56,64)(H,57,69)(H,66,67)/b14-11+,29-12+/t30-,31+,32?,34?,35+,38+,39+,40-,41+,46+,52+,53+/m1/s1 |
| InChIKey | UBRZDBDIKWWPEN-ANAFPORDSA-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)CCSC5CC(=O)N(C5=O)CC6CCC(CC6)C(=O)NCCCCC(C(=O)O)N)C)C)OC)(NC(=O)O2)O |
| Reference | [1]. Ogitani Y, et al. Bystander killing effect of DS-8201a, a novel anti-human epidermal growth factor receptor 2 antibody-drug conjugate, in tumors with human epidermal growth factor receptor 2 heterogeneity. Cancer Sci. 2016 Jul;107(7):1039-46. [2]. Tomabechi R, et al. Identification of 5-Carboxyfluorescein as a Probe Substrate of SLC46A3 and Its Application in a Fluorescence-Based In Vitro Assay Evaluating the Interaction with SLC46A3. Mol Pharm. 2022 Dec 2. |
