8-(3,4-dimethoxyphenyl)-4,10-dimethyl-2,4,7,9,10-pentazabicyclo[4.4.0]deca-1,6,8-triene-3,5-dione

Modify Date: 2025-10-02 08:28:45

8-(3,4-dimethoxyphenyl)-4,10-dimethyl-2,4,7,9,10-pentazabicyclo[4.4.0]deca-1,6,8-triene-3,5-dione Structure
8-(3,4-dimethoxyphenyl)-4,10-dimethyl-2,4,7,9,10-pentazabicyclo[4.4.0]deca-1,6,8-triene-3,5-dione structure
Common Name 8-(3,4-dimethoxyphenyl)-4,10-dimethyl-2,4,7,9,10-pentazabicyclo[4.4.0]deca-1,6,8-triene-3,5-dione
CAS Number 32502-16-2 Molecular Weight 329.31100
Density 1.44g/cm3 Boiling Point 442.1ºC at 760mmHg
Molecular Formula C15H15N5O4 Melting Point N/A
MSDS N/A Flash Point 221.2ºC

 Names

Name 3-(3,4-dimethoxyphenyl)-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.44g/cm3
Boiling Point 442.1ºC at 760mmHg
Molecular Formula C15H15N5O4
Molecular Weight 329.31100
Flash Point 221.2ºC
Exact Mass 329.11200
PSA 101.13000
LogP 0.10640
InChIKey MWQDYWIWJRWUBC-UHFFFAOYSA-N
SMILES COc1ccc(-c2nc3c(=O)n(C)c(=O)nc-3n(C)n2)cc1OC

 Synthetic Route

~%

8-(3,4-dimethoxyphenyl)-4,10-dimethyl-2,4,7,9,10-pentazabicyclo[4.4.0]deca-1,6,8-triene-3,5-dione Structure

8-(3,4-dimethox...

CAS#:32502-16-2

Literature: Raoof, Ali; Depledge, Paul; Hamilton, Niall M.; Hamilton, Nicola S.; Hitchin, James R.; Hopkins, Gemma V.; Jordan, Allan M.; Maguire, Laura A.; McGonagle, Alison E.; Mould, Daniel P.; Rushbrooke, Mathew; Small, Helen F.; Smith, Kate M.; Thomson, Graeme J.; Turlais, Fabrice; Waddell, Ian D.; Waszkowycz, Bohdan; Watson, Amanda J.; Ogilvie, Donald J. Journal of Medicinal Chemistry, 2013 , vol. 56, # 16 p. 6352 - 6370

~%

8-(3,4-dimethoxyphenyl)-4,10-dimethyl-2,4,7,9,10-pentazabicyclo[4.4.0]deca-1,6,8-triene-3,5-dione Structure

8-(3,4-dimethox...

CAS#:32502-16-2

Literature: Raoof, Ali; Depledge, Paul; Hamilton, Niall M.; Hamilton, Nicola S.; Hitchin, James R.; Hopkins, Gemma V.; Jordan, Allan M.; Maguire, Laura A.; McGonagle, Alison E.; Mould, Daniel P.; Rushbrooke, Mathew; Small, Helen F.; Smith, Kate M.; Thomson, Graeme J.; Turlais, Fabrice; Waddell, Ian D.; Waszkowycz, Bohdan; Watson, Amanda J.; Ogilvie, Donald J. Journal of Medicinal Chemistry, 2013 , vol. 56, # 16 p. 6352 - 6370

~%

8-(3,4-dimethoxyphenyl)-4,10-dimethyl-2,4,7,9,10-pentazabicyclo[4.4.0]deca-1,6,8-triene-3,5-dione Structure

8-(3,4-dimethox...

CAS#:32502-16-2

Literature: Raoof, Ali; Depledge, Paul; Hamilton, Niall M.; Hamilton, Nicola S.; Hitchin, James R.; Hopkins, Gemma V.; Jordan, Allan M.; Maguire, Laura A.; McGonagle, Alison E.; Mould, Daniel P.; Rushbrooke, Mathew; Small, Helen F.; Smith, Kate M.; Thomson, Graeme J.; Turlais, Fabrice; Waddell, Ian D.; Waszkowycz, Bohdan; Watson, Amanda J.; Ogilvie, Donald J. Journal of Medicinal Chemistry, 2013 , vol. 56, # 16 p. 6352 - 6370

 Bioassay

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Name: High-throughput screen for inhibitors of the GIV GBA-motif interaction with Galpha-i ...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: N/A
External Id: HMS1303_AS
Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
Name: Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrat...
Source: ChEMBL
Target: Tyrosyl-DNA phosphodiesterase 2
External Id: CHEMBL2423658
Name: High-throughput screen for inhibitors of the GIV GBA-motif interaction with Galpha-i ...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: N/A
External Id: HMS1303_FP
Name: Inhibition of APE-1 (unknown origin) using double-stranded AP-site containing DNA as ...
Source: ChEMBL
Target: DNA-(apurinic or apyrimidinic site) endonuclease
External Id: CHEMBL2423657
Name: Inhibition of TDP1 (unknown origin) using double-stranded AP-site containing DNA as s...
Source: ChEMBL
Target: Tyrosyl-DNA phosphodiesterase 1
External Id: CHEMBL2423656
Name: Small-molecule inhibitors of ST2 (IL1RL1)
Source: 20881
Target: interleukin-1 receptor-like 1 isoform [homo sapiens]
External Id: ST2_IL33_Inhibitors_Primary_Screening_77700
Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
Name: HIV Cellular Data
Source: NIAID
Target: N/A
External Id: HIV Cellular Data
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 Synonyms

3-(3,4-Dimethoxy)toxoflavin
3-(3,4-Dimethoxyphenyl)-toxoflavin
3-(3,4-dimethoxy-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
Pyrimido(5,4-e)-1,2,4-triazine-5,7(1H,6H)-dione,3-(3,4-dimethoxyphenyl)-1,6-dimethyl
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