4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyrazin-6-yl)benzoic acid

Modify Date: 2026-04-19 20:00:39

4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyrazin-6-yl)benzoic acid Structure
4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyrazin-6-yl)benzoic acid structure
Common Name 4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyrazin-6-yl)benzoic acid
CAS Number 37460-93-8 Molecular Weight 269.21
Density N/A Boiling Point N/A
Molecular Formula C13H7N3O4 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyrazin-6-yl)benzoic acid

 Chemical & Physical Properties

Molecular Formula C13H7N3O4
Molecular Weight 269.21
InChIKey XDAJHYFGFMWBOF-UHFFFAOYSA-N
SMILES C1=CC(=CC=C1C(=O)O)N2C(=O)C3=NC=CN=C3C2=O

 Bioassay

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Name: Selectivity index, ratio of IC50 for ovine COX1 to IC50 for ovine COX2
Source: ChEMBL
Target: N/A
External Id: CHEMBL2378240
Name: Antiinflammatory activity in ip dosed Sprague-Dawley rat assessed as inhibition of ca...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL2378239
Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
Name: Antibacterial activity against Pseudomonas aeruginosa assessed as growth inhibition a...
Source: ChEMBL
Target: Pseudomonas aeruginosa
External Id: CHEMBL3074327
Name: Antibacterial activity against Escherichia coli assessed as growth inhibition after 2...
Source: ChEMBL
Target: Escherichia coli
External Id: CHEMBL3074328
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: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
Name: Antibacterial activity against Bacillus subtilis assessed as growth inhibition after ...
Source: ChEMBL
Target: Bacillus subtilis
External Id: CHEMBL3074329
Name: Antibacterial activity against Staphylococcus aureus assessed as growth inhibition af...
Source: ChEMBL
Target: Staphylococcus aureus
External Id: CHEMBL3074330
Name: Alphascreen assay for small molecules abrogating mHTT-CaM Interaction
Source: 24983
Target: Huntingtin
External Id: KUHTS-Muma KU-CaM-Htt INH-01
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