For research use only. Not for therapeutic Use.
Dot1L-IN-1 TFA is a highly potent and selective Dot1L inhibitor with a Ki of 2 pM and an IC50 of <0.1 nM. Dot1L-IN-1 TFA potently suppresses H3K79 dimethylation (IC50=3 nM), as well as the activity of the HoxA9 promoter (IC50=17 nM) in HeLa and Molm-13 cells, respectively[1].
Dot1L-IN-1 (analogue 7) TFA effectively inhibits proliferation of the human MLL-rearranged leukemia cell line MV4-11 carrying the oncogenic MLL-AF4 fusion (IC50=5 nM)[1].
| Catalog Number | I042373 |
| Synonyms | 2-[[2-chloro-3-(2-methylpyridin-3-yl)-1-benzothiophen-5-yl]carbamoylamino]-N-[3-[methyl-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]amino]propyl]acetamide;2,2,2-trifluoroacetic acid |
| Molecular Formula | C34H37ClF3N9O4S |
| Purity | ≥95% |
| InChI | InChI=1S/C32H36ClN9O2S.C2HF3O2/c1-20-23(7-3-11-34-20)28-25-16-21(8-9-26(25)45-29(28)33)40-32(44)37-17-27(43)35-12-5-14-41(2)22-6-4-15-42(18-22)31-24-10-13-36-30(24)38-19-39-31;3-2(4,5)1(6)7/h3,7-11,13,16,19,22H,4-6,12,14-15,17-18H2,1-2H3,(H,35,43)(H,36,38,39)(H2,37,40,44);(H,6,7)/t22-;/m1./s1 |
| InChIKey | QQHCFTMTWPNCPT-VZYDHVRKSA-N |
| SMILES | CC1=C(C=CC=N1)C2=C(SC3=C2C=C(C=C3)NC(=O)NCC(=O)NCCCN(C)C4CCCN(C4)C5=NC=NC6=C5C=CN6)Cl.C(=O)(C(F)(F)F)O |
| Reference | [1]. Möbitz H, et al. Discovery of Potent, Selective, and Structurally Novel Dot1L Inhibitors by a Fragment Linking Approach. ACS Med Chem Lett. 2017 Feb 14;8(3):338-343. |
