For research use only. Not for therapeutic Use.
NH2-methylpropanamide-Exatecan TFA is a methylpropanamide-modified Exatecan (HY-13631), which is the common ADC Cytotoxin used in the synthesis of ADC. Exatecan is a DNA topoisomerase I inhibitor, with an IC50 of 2.2 μM (0.975 μg/mL), and can be used in cancer research[1].
| Catalog Number | I040763 |
| CAS Number | 1817857-35-4 |
| Synonyms | (2S)-3-amino-N-[(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]-2-methylpropanamide;2,2,2-trifluoroacetic acid |
| Molecular Formula | C30H30F4N4O7 |
| Purity | ≥95% |
| InChI | InChI=1S/C28H29FN4O5.C2HF3O2/c1-4-28(37)17-7-21-24-15(10-33(21)26(35)16(17)11-38-27(28)36)23-19(32-25(34)12(2)9-30)6-5-14-13(3)18(29)8-20(31-24)22(14)23;3-2(4,5)1(6)7/h7-8,12,19,37H,4-6,9-11,30H2,1-3H3,(H,32,34);(H,6,7)/t12-,19-,28-;/m0./s1 |
| InChIKey | MSMQTDLIKIFXGT-WXVOAYBSSA-N |
| SMILES | CCC1(C2=C(COC1=O)C(=O)N3CC4=C5C(CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)NC(=O)C(C)CN)O.C(=O)(C(F)(F)F)O |
| Reference | [1]. Weng W, et al. Antibody-Exatecan Conjugates with a Novel Self-immolative Moiety Overcome Resistance in Colon and Lung Cancer. Cancer Discov. 2023 Apr 3;13(4):950-973. |
