8-{[benzyl(methyl)amino]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione

Modify Date: 2026-05-19 14:10:42

8-{[benzyl(methyl)amino]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione Structure
8-{[benzyl(methyl)amino]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione structure
Common Name 8-{[benzyl(methyl)amino]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
CAS Number 851941-75-8 Molecular Weight 383.5
Density N/A Boiling Point N/A
Molecular Formula C21H29N5O2 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 8-{[benzyl(methyl)amino]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione

 Chemical & Physical Properties

Molecular Formula C21H29N5O2
Molecular Weight 383.5
InChIKey IBEJBQLZSYSDCB-UHFFFAOYSA-N
SMILES CC(C)CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(C)CC3=CC=CC=C3

 Bioassay

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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
Name: Inhibition of recombinant human ALDH1A1 using propionaldehyde as substrate preincubat...
Source: ChEMBL
Target: Aldehyde dehydrogenase 1A1
External Id: CHEMBL3419576
Name: Inhibition of recombinant human ALDH3A1 using benzaldehyde as substrate at 100 uM pre...
Source: ChEMBL
Target: Aldehyde dehydrogenase, dimeric NADP-preferring
External Id: CHEMBL3421196
Name: Inhibition of recombinant human ALDH1B1 using propionaldehyde as substrate preincubat...
Source: ChEMBL
Target: Aldehyde dehydrogenase X, mitochondrial
External Id: CHEMBL3421193
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