1394956-18-3

Basic information

• Product Name: C₂₅H₃₅N₇O₄S
• CAS NO: 1394956-18-3
• Molecular Weight: 529.663
• Mol File: 1394956-18-3.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: C₂₅H₃₅N₇O₄S(CAS DataBase Reference)
• NIST Chemistry Reference: C₂₅H₃₅N₇O₄S(1394956-18-3)
• EPA Substance Registry System: C₂₅H₃₅N₇O₄S(1394956-18-3)

Safety Data

• Hazardous Substances Data: 1394956-18-3(Hazardous Substances Data)

Upstream product

• 2004-06-0 6-Chloropurine riboside 
• 5987-73-5 2',3',5'-O-triacetyl-6-chloroinosine 
• 3181-38-2 2',3',5'-tri-O-acetylinosine 
• 58-63-9 Inosine 
• 1867-73-8 N⁶-methyladenosine 
• 4566-77-2 ((3aR,4R,6R,6aR)-2,2-dimethyl-6-(6-(methylamino)-9H-purin-9-yl)tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanol 

Relevant articles and documents

Synthesis and structure-activity relationship investigation of adenosine-containing inhibitors of histone methyltransferase DOT1L

Histone3-lysine79 (H3K79) methyltransferase DOT1L has been found to be a drug target for acute leukemia with MLL (mixed lineage leukemia) gene translocations. A total of 55 adenosine-containing compounds were designed and synthesized, among which several potent DOT1L inhibitors were identified with Ki values as low as 0.5 nM. These compounds also show high selectivity (>4500-fold) over three other histone methyltransferases. Structure-activity relationships (SAR) of these compounds for their inhibitory activities against DOT1L are discussed. Potent DOT1L inhibitors exhibit selective activity against the proliferation of MLL-translocated leukemia cell lines MV4;11 and THP1 with EC50 values of 4-11 μM. Isothermal titration calorimetry studies showed that two representative inhibitors bind with a high affinity to the DOT1L:nucleosome complex and only compete with the enzyme cofactor SAM (S-adenosyl-l-methionine) but not the substrate nucleosome.