1381761-52-9

Basic information

• Product Name: 1-(3-((((2S,3S,4R,5R)-5-(6-aMino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)Methyl)(isopropyl)aMino)propyl)-3-(4-(tert-butyl)phenyl)urea
• Synonyms: 1-(3-((((2S,3S,4R,5R)-5-(6-aMino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)Methyl)(isopropyl)aMino)propyl)-3-(4-(tert-butyl)phenyl)urea;1-(3-((((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(isop;1-(3-((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(isopropyl)amino)propyl)-3-(4-(tertbutyl)phenyl)urea
• CAS NO: 1381761-52-9
• Molecular Formula: C₂₇H₄₀N₈O₄
• Molecular Weight: 540.6577
• EINECS: -0
• Product Categories: API
• Mol File: 1381761-52-9.mol
• Article Data: 5

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1-(3-((((2S,3S,4R,5R)-5-(6-aMino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)Methyl)(isopropyl)aMino)propyl)-3-(4-(tert-butyl)phenyl)urea(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(3-((((2S,3S,4R,5R)-5-(6-aMino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)Methyl)(isopropyl)aMino)propyl)-3-(4-(tert-butyl)phenyl)urea(1381761-52-9)
• EPA Substance Registry System: 1-(3-((((2S,3S,4R,5R)-5-(6-aMino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)Methyl)(isopropyl)aMino)propyl)-3-(4-(tert-butyl)phenyl)urea(1381761-52-9)

Safety Data

• Hazardous Substances Data: 1381761-52-9(Hazardous Substances Data)

Usage

General Description

The chemical "1-(3-((((2S,3S,4R,5R)-5-(6-aMino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)Methyl)(isopropyl)aMino)propyl)-3-(4-(tert-butyl)phenyl)urea" is a complex compound with a molecular formula C32H48N8O3. It contains elements of amines, urea, and phenyl groups, and is a derivative of purine. The compound is a polyatomic molecule, with multiple functional groups and a long carbon backbone. Its specific properties and potential applications would depend on its reactivity, solubility, and stability in different conditions, making it potentially useful in medicinal, pharmaceutical, or other chemical applications.

Upstream product

• 14365-44-7 5'-amino-5'-deoxyadenosine 
• 220579-81-7 2-[(2R,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl]-isoindole-1,3-dione 
• 892-48-8 5'-deoxy-5'-chloroadenosine 
• 1381761-53-0 1-(4-(tert-butyl)phenyl)-3-(3-oxopropyl)urea 
• 34245-48-2 5'-azido-5'-deoxy-2',3'-O-isopropylidene adenosine 
• 68179-90-8 ((3aR,4R,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl methanesulfonate 
• 1381764-00-6 N₁-(((3aR,4R,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl)-N₁-isopropylpropane-1,3-diamine 
• 1381763-99-0 2-(3-((((3aR,4R,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl)(isopropyl)amino)propyl)isoindoline-1,3-dione 
• 1415264-47-9 C₂₀H₃₀N₆O₅ 
• 1394956-50-3 C₁₉H₃₀N₆O₄ 
• 1381761-51-8 C₃₀H₄₄N₈O₄ 
• 1381761-28-9 1-(3-((((3aR,4R,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl)amino)propyl)-3-(4-(tert-butyl)phenyl)urea 
• 80860-44-2 2-[[(3aR,4R,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyltetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]methyl]-2,3-dihydro-1H-isoindol-1,3-dione 
• 1239841-77-0 1-(4-tert-butylphenyl)-3-(3-hydroxypropyl)urea 

Relevant articles and documents

Convenient preparation of pinometostat and related 5′-deoxy-5′-amino adenosine derivatives as well as their activity against DOT1L

From adenosine and 2′-C-Me adenosine, a 3-step route towards nucleoside DOT1L inhibitors, including pinometostat, EPZ5677, and FED1, was established. With useful structural-activity relationship information, the newly prepared 2′-C-Me adenosine derivative

In Situ Proteome Profiling and Bioimaging Applications of Small-Molecule Affinity-Based Probes Derived from DOT1L Inhibitors

DOT1L is the sole protein methyltransferase that methylates histone H3 on lysine 79 (H3K79), and is a promising drug target against cancers. Small-molecule inhibitors of DOT1L such as FED1 are potential anti-cancer agents and useful tools to investigate the biological roles of DOT1L in human diseases. FED1 showed excellent in vitro inhibitory activity against DOT1L, but its cellular effect was relatively poor. In this study, we designed and synthesized photo-reactive and "clickable" affinity-based probes (AfBPs), P1 and P2, which were cell-permeable and structural mimics of FED1. The binding and inhibitory effects of these two probes against DOT1L protein were extensively investigated in vitro and in live mammalian cells (in situ). The cellular uptake and sub-cellular localization properties of the probes were subsequently studied in live-cell imaging experiments, and our results revealed that, whereas both P1 and P2 readily entered mammalian cells, most of them were not able to reach the cell nucleus where functional DOT1L resides. This offers a plausible explanation for the poor cellular activity of FED1. Finally with P1/P2, large-scale cell-based proteome profiling, followed by quantitative LC-MS/MS, was carried out to identify potential cellular off-targets of FED1. Amongst the more than 100 candidate off-targets identified, NOP2 (a putative ribosomal RNA methyltransferase) was further confirmed to be likely a genuine off-target of FED1 by preliminary validation experiments including pull-down/Western blotting (PD/WB) and cellular thermal shift assay (CETSA). Minimalist "clickable" probes: Small-molecule probes P1 and P2 based on FED1 (a known DOT1L inhibitor) were developed and successfully used in experiments including live-cell imaging, in situ proteome profiling, and off-target identification (see scheme).

MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF

Disclosed are compounds, pharmaceutical compositions containing the compounds, and the uses of the compounds and compositions as modulators of histone methyltransferases, and for treating diseases influenced by modulation of histone methyltransferase activity.