8-[(dibenzylamino)methyl]-1,3-dimethyl-7-propyl-5H-purin-7-ium-2,6-dione

Modify Date: 2026-07-30 16:36:51

8-[(dibenzylamino)methyl]-1,3-dimethyl-7-propyl-5H-purin-7-ium-2,6-dione Structure
8-[(dibenzylamino)methyl]-1,3-dimethyl-7-propyl-5H-purin-7-ium-2,6-dione structure
Common Name 8-[(dibenzylamino)methyl]-1,3-dimethyl-7-propyl-5H-purin-7-ium-2,6-dione
CAS Number 577990-50-2 Molecular Weight 432.5
Density N/A Boiling Point N/A
Molecular Formula C25H30N5O2+ Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 8-[(dibenzylamino)methyl]-1,3-dimethyl-7-propyl-5H-purin-7-ium-2,6-dione

 Chemical & Physical Properties

Molecular Formula C25H30N5O2+
Molecular Weight 432.5
InChIKey PHGGLOLKVOOPDU-UHFFFAOYSA-N
SMILES CCC[N+]1=C(CN(Cc2ccccc2)Cc2ccccc2)N=C2C1C(=O)N(C)C(=O)N2C

 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: 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: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1100
Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1101
Name: Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Bas...
Source: Broad Institute
Target: N/A
External Id: 2134-01_Inhibitor_SinglePoint_HTS_Activity_Set2
Name: Primary cell-based high-throughput screening for identification of compounds that all...
Source: Johns Hopkins Ion Channel Center
Target: MAS-related GPR member X1 [Homo sapiens]
External Id: JHICC_MrgX1_AlloAgonist_Primary
Name: Primary cell-based high-throughput screening for identification of compounds that ant...
Source: Johns Hopkins Ion Channel Center
Target: MAS-related GPR member X1 [Homo sapiens]
External Id: JHICC_MrgX1_Antagonist_Primary
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.
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