8-methyl-4-phenyl-2,3,5,8,10-pentazabicyclo[4.4.0]deca-2,4,11-triene-7,9-dione

Modify Date: 2025-11-26 15:04:58

8-methyl-4-phenyl-2,3,5,8,10-pentazabicyclo[4.4.0]deca-2,4,11-triene-7,9-dione Structure
8-methyl-4-phenyl-2,3,5,8,10-pentazabicyclo[4.4.0]deca-2,4,11-triene-7,9-dione structure
Common Name 8-methyl-4-phenyl-2,3,5,8,10-pentazabicyclo[4.4.0]deca-2,4,11-triene-7,9-dione
CAS Number 42285-76-7 Molecular Weight 255.23200
Density 1.407g/cm3 Boiling Point 381.4ºC at 760mmHg
Molecular Formula C12H9N5O2 Melting Point N/A
MSDS N/A Flash Point 184.4ºC

 Names

Name 6-methyl-3-phenyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.407g/cm3
Boiling Point 381.4ºC at 760mmHg
Molecular Formula C12H9N5O2
Molecular Weight 255.23200
Flash Point 184.4ºC
Exact Mass 255.07600
PSA 93.53000
LogP 0.07880
InChIKey NVBYFWGBTBIMQL-UHFFFAOYSA-N
SMILES Cn1c(=O)[nH]c2nnc(-c3ccccc3)nc2c1=O

 Synthetic Route

~85%

8-methyl-4-phenyl-2,3,5,8,10-pentazabicyclo[4.4.0]deca-2,4,11-triene-7,9-dione Structure

8-methyl-4-phen...

CAS#:42285-76-7

Literature: Nagamatsu, Tomohisa; Yamasaki, Hirofumi Journal of the Chemical Society. Perkin Transactions 1, 2001 , # 2 p. 130 - 137

~88%

8-methyl-4-phenyl-2,3,5,8,10-pentazabicyclo[4.4.0]deca-2,4,11-triene-7,9-dione Structure

8-methyl-4-phen...

CAS#:42285-76-7

Literature: Nagamatsu, Tomohisa; Yamasaki, Hirofumi Journal of the Chemical Society. Perkin Transactions 1, 2001 , # 2 p. 130 - 137

~86%

8-methyl-4-phenyl-2,3,5,8,10-pentazabicyclo[4.4.0]deca-2,4,11-triene-7,9-dione Structure

8-methyl-4-phen...

CAS#:42285-76-7

Literature: Nagamatsu, Tomohisa; Yamasaki, Hirofumi Journal of the Chemical Society. Perkin Transactions 1, 2001 , # 2 p. 130 - 137

~81%

8-methyl-4-phenyl-2,3,5,8,10-pentazabicyclo[4.4.0]deca-2,4,11-triene-7,9-dione Structure

8-methyl-4-phen...

CAS#:42285-76-7

Literature: Nagamatsu, Tomohisa; Yamasaki, Hirofumi Journal of the Chemical Society. Perkin Transactions 1, 2001 , # 2 p. 130 - 137

~93%

8-methyl-4-phenyl-2,3,5,8,10-pentazabicyclo[4.4.0]deca-2,4,11-triene-7,9-dione Structure

8-methyl-4-phen...

CAS#:42285-76-7

Literature: Nagamatsu, Tomohisa; Yamasaki, Hirofumi Journal of the Chemical Society. Perkin Transactions 1, 2001 , # 2 p. 130 - 137

~88%

8-methyl-4-phenyl-2,3,5,8,10-pentazabicyclo[4.4.0]deca-2,4,11-triene-7,9-dione Structure

8-methyl-4-phen...

CAS#:42285-76-7

Literature: Nagamatsu, Tomohisa; Yamasaki, Hirofumi Journal of the Chemical Society. Perkin Transactions 1, 2001 , # 2 p. 130 - 137

~93%

8-methyl-4-phenyl-2,3,5,8,10-pentazabicyclo[4.4.0]deca-2,4,11-triene-7,9-dione Structure

8-methyl-4-phen...

CAS#:42285-76-7

Literature: Nagamatsu, Tomohisa; Yamasaki, Hirofumi Journal of the Chemical Society. Perkin Transactions 1, 2001 , # 2 p. 130 - 137

~50%

8-methyl-4-phenyl-2,3,5,8,10-pentazabicyclo[4.4.0]deca-2,4,11-triene-7,9-dione Structure

8-methyl-4-phen...

CAS#:42285-76-7

Literature: Turbiak, Anjanette J.; Showalter, H. D. Hollis Synthesis, 2009 , # 23 art. no. M02809SS, p. 4022 - 4026

~%

8-methyl-4-phenyl-2,3,5,8,10-pentazabicyclo[4.4.0]deca-2,4,11-triene-7,9-dione Structure

8-methyl-4-phen...

CAS#:42285-76-7

Literature: Nagamatsu, Tomohisa; Yamasaki, Hirofumi Heterocycles, 1997 , vol. 45, # 4 p. 643 - 650

 Bioassay

View more

Name: Intrinsic clearance in mouse liver microsomes assessed per mg protein at 1 uM measure...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4610607
Name: Permeability across apical to basolateral side in MDCK2-MDR1 cells at 10 uM incubated...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4610606
Name: Efflux ratio of permeability from basolateral to apical over apical to basolateral si...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4610608
Name: Substrate activity at P-gp in MDCK2-MDR1 cells at 10 uM incubated for 60 mins in pres...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4610602
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 Synonyms

1-Demethyl-3-phenyl-toxoflavin
3-Phenylreumycin
3-Methyl-6-phenyl-7-azalumazine
3-Phenyl-1-demethyltoxoflavin
6-Methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione
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