Dot1L-IN-1 TFA

• CAT Number: I042373
• Molecular Formula: C34H37ClF3N9O4S
• Molecular Weight: 760.23
• Purity: ≥95%
• 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
• 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

Dot1L-IN-1 TFA (Cat No.: I042373) is the trifluoroacetate salt form of a potent and selective inhibitor of DOT1L (disruptor of telomeric silencing 1-like), a histone H3K79 methyltransferase involved in gene expression regulation and leukemogenesis. By blocking DOT1L activity, this compound reduces H3K79 methylation, disrupting transcriptional programs critical in mixed-lineage leukemia (MLL)-rearranged cancers. Dot1L-IN-1 TFA is widely used in epigenetic research and preclinical cancer studies to explore therapeutic strategies targeting histone methylation and chromatin dynamics in aggressive hematologic malignancies.

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.
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