For research use only. Not for therapeutic Use.
Dot1L-IN-4(CAT: I017531) is a potent small-molecule inhibitor of disruptor of telomeric silencing 1-like protein (DOT1L) with an IC₅₀ of 0.11 nM in SPA assays. In cellular models, it suppresses H3K79 dimethylation in HeLa cells (ED₅₀ = 1.7 nM) and downregulates HOXA9 gene expression in Molm-13 leukemia cells (ED₅₀ = 33 nM). Dot1L-IN-4 also inhibits mixed lineage leukemia (MLL) activity with an IC₅₀ of 99 μM. In xenograft-bearing mice, high oral doses (300 mg/kg) are poorly tolerated, while reduced dosing only partially decreases tumor growth and HOXA9 expression. Dot1L-IN-4 is a valuable tool for studying epigenetics, leukemia biology, and histone methylation pathways.
| CAS Number | 2565705-02-2 |
| Synonyms | 1-N-[(S)-(3-chloropyridin-2-yl)-(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]-2-N-(4-methoxy-6-piperazin-1-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzene-1,2-diamine |
| Molecular Formula | C28H27ClF2N8O5S |
| Purity | ≥95% |
| IUPAC Name | 1-N-[(S)-(3-chloropyridin-2-yl)-(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]-2-N-(4-methoxy-6-piperazin-1-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzene-1,2-diamine |
| InChI | InChI=1S/C28H27ClF2N8O5S/c1-42-27-37-25(36-26(38-27)39-13-11-32-12-14-39)35-20-15-16(45(2,40)41)8-9-19(20)34-22(23-18(29)6-4-10-33-23)17-5-3-7-21-24(17)44-28(30,31)43-21/h3-10,15,22,32,34H,11-14H2,1-2H3,(H,35,36,37,38)/t22-/m0/s1 |
| InChIKey | QJIMSJUUARCROQ-QFIPXVFZSA-N |
| SMILES | COC1=NC(=NC(=N1)N2CCNCC2)NC3=C(C=CC(=C3)S(=O)(=O)C)NC(C4=C5C(=CC=C4)OC(O5)(F)F)C6=C(C=CC=N6)Cl |
| Chemistry Calculators | Dilution Calculator In vivo Formulation Calculator Molarity Calculator Molecular Weight Calculator Reconstitution Calculator |
