Dot1L-IN-4 is a potent disruptor of telomeric silencing 1-like protein (DOT1L) inhibitor with an IC50 SPA DOT1L of 0.11 nM.

Product information

CAS Number: 2565705-02-2

Molecular Weight: 661.08

Formula: C28H27ClF2N8O5S

Chemical Name: N1-[(S)-(3-chloropyridin-2-yl)(2,2-difluoro-2H-1,3-benzodioxol-4-yl)methyl]-4-methanesulfonyl-N2-[4-methoxy-6-(piperazin-1-yl)-1,3,5-triazin-2-yl]benzene-1,2-diamine

Smiles: COC1=NC(=NC(NC2=CC(=CC=C2N[C@@H](C2=CC=CC3OC(F)(F)OC=32)C2=NC=CC=C2Cl)S(C)(=O)=O)=N1)N1CCNCC1

InChiKey: QJIMSJUUARCROQ-QFIPXVFZSA-N

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

Technical Data

Appearance: Solid Power

Purity: ≥98% (or refer to the Certificate of Analysis)

Solubility: DMSO : 250 mg/mL (378.17 mM; Need ultrasonic).

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis

Storage Condition: Dry, dark and -20 ^oC for 1 year or refer to the Certificate of Analysis.

Shelf Life: ≥12 months if stored properly.

Stock Solution Storage: 0 - 4 ^oC for 1 month or refer to the Certificate of Analysis.

Drug Formulation: To be determined

HS Tariff Code: 382200

How to use

In Vitro:

Dot1L-IN-4 (Compound 10) is tested in cellular assays to assess the ability to inhibit the dimethylation of H3K79 in HeLa cells (ED50 H3K79me2 Elisa=1.7 nM) and HOXA9 gene expression in Molm-13 cells (ED50 HOXA9 RGA=33 nM). Dot1L-IN-4 also inhibits mixed lineage leukemia (MLL) with an IC50 of 99 µM.

In Vivo:

Dot1L-IN-4 (Compound 10; 300 mg/kg; p.o.; qd) is not tolerated at such a high dose by tumor xenograft bearing mice, and at a 6-fold reduced dose, the tumor growth as well as the HOXA9 reporter gene mRNA are reduced only by less than half as compared to control animals.

Products are for research use only. Not for human use.