77326-45-5

Basic information

• Product Name: 2-Aminocarbonyl-3-nitrobenzoic acid
• Synonyms: Benzoic acid, 2-(aminocarbonyl)-3-nitro-;2-CARBAMOYL-3-NITROBENZOIC ACID;2-Aminocarbonyl-3-nitrobenzoic acid;3-Nitro-phthalamic acid
• CAS NO: 77326-45-5
• Molecular Formula: C₈H₆N₂O₅
• Molecular Weight: 210.14
• Product Categories: Drug Intermediates;Aromatics
• Mol File: 77326-45-5.mol
• Article Data: 19

Chemical Properties

• Boiling Point: 398.5 °C at 760 mmHg
• Flash Point: 194.8 °C
• Appearance: /
• Density: 1.585 g/cm³
• Vapor Pressure: 4.57E-07mmHg at 25°C
• Refractive Index: 1.655
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 2-Aminocarbonyl-3-nitrobenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Aminocarbonyl-3-nitrobenzoic acid(77326-45-5)
• EPA Substance Registry System: 2-Aminocarbonyl-3-nitrobenzoic acid(77326-45-5)

Safety Data

• Hazardous Substances Data: 77326-45-5(Hazardous Substances Data)

Usage

General Description

2-Aminocarbonyl-3-nitrobenzoic acid is an organic compound with the chemical formula C9H7N3O5. It is a yellow crystalline solid that is used in the synthesis of pharmaceuticals and dyes. 2-Aminocarbonyl-3-nitrobenzoic acid contains both an amine and a carboxylic acid functional group, making it a versatile building block for the creation of more complex organic molecules. Additionally, the nitro group on the benzene ring contributes to the compound's electron-withdrawing abilities, making it useful in various chemical reactions. 2-Aminocarbonyl-3-nitrobenzoic acid has potential applications in the fields of medicine, chemistry, and material science.

InChI:InChI=1/C8H6N2O5/c9-7(11)6-4(8(12)13)2-1-3-5(6)10(14)15/h1-3H,(H2,9,11)(H,12,13)

Upstream product

• 641-70-3 3-nitrophthalic acid anhydride 
• 603-62-3 4-nitro-1H-isoindole-1,3(2H)-dione 

Downstream Products

• 606-18-8 3-nitroanthranilic acid 
• 50573-74-5 6-nitroanthranilic acid 
• 1015474-32-4 rac-3-(5-amino-2-methyl-4-oxoquinazolin-3(4H)-yl)piperidine-2,6-dione 
• 603-11-2 3-nitrophthalic acid 
• 144876-36-8 1H-benzo[d]imidazole-4-carbaldehyde 
• 65658-13-1 (1H-benzo[d]imidazol-4-yl)methanol 
• 37619-25-3 methyl 1H-benzo[d]imidazole-4-carboxylate 
• 124341-04-4 2-(2,3,4-trimethoxyphenyl)-1H-benzimidazole-4-carboxylic acid 
• 1309042-26-9 (L)-2-(furan-2-yl)-N-(1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl)-1H-benzimidazole-4-carboxamide 
• 1160269-67-9 2-(furan-2-yl)-N-(2-fluorophenyl)-1H-benzimidazole-4-carboxamide 
• 1309042-24-7 (L)-2-(pyridin-4-yl)-N-(1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl)-1H-benzimidazole-4-carboxamide 
• 1309042-22-5 (L)-2-(pyridin-3-yl)-N-(1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl)-1H-benzimidazole-4-carboxamide 
• 1309042-20-3 (L)-2-(pyridin-2-yl)-N-(1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl)-1H-benzimidazole-4-carboxamide 
• 77326-34-2 2-Cyano-3-(ethoxyoxalyl-amino)-benzoic acid methyl ester 

Relevant articles and documents

Synthesis and evaluation of 2-(4-[4-acetylpiperazine-1-carbonyl] phenyl)-1H-benzo[d]imidazole-4-carboxamide derivatives as potential PARP-1 inhibitors and preliminary study on structure-activity relationship

Although 1H-benzo[d]imidazole-4-carboxamide derivatives have been explored for a long time, the structure–activity relationship of the substituents in the hydrophobic pocket (AD binding sites) has not thoroughly discovered. Here in, a series of 2-(4-[4-acetylpiperazine-1-carbonyl]phenyl)-1H-benzo[d]imidazole-4-carboxamide derivatives have been designed, synthesized, and successful characterization as novel and effective poly ADP-ribose polymerases (PARP)-1 inhibitors to improve the structure–activity relationships about the substituents in the hydrophobic pocket. These derivatives were evaluated for their PARP-1 inhibitory activity and cellular inhibitory against BRCA-1 deficient cells (MDA-MB-436) and wild cells (MCF-7) using PARP kit assay and MTT method. The results indicated that compared with other heterocyclic compounds, furan ring-substituted derivatives 14n-14q showed better PARP-1 inhibitory activity. Among this derivatives, compound 14p displayed the strongest inhibitory effects on PARP-1 enzyme (IC50?=?0.023 μM), which was close to that of Olaparib. 14p (IC50?=?43.56 ± 0.69 μM) and 14q (IC50?=?36.69 ± 0.83 μM) displayed good antiproliferation activity on MDA-MB-436 cells and inactivity on MCF-7 cells, indicating that 14p and 14q have high selectivity and targeting. The molecular docking method was used to explore the binding mode of compound 14p and PARP-1, and implied that the formation of hydrogen bond was essential for PARP-1 inhibition activities. This study also showed that in the hydrophobic pocket (AD binding sites), the introduction of strong electronegative groups (furan ring, e.g.) or halogen atoms in the side chain of benzimidazole might improve its inhibitory activity and this strategy could be applied in further research.

COMPOSITIONS AND METHODS FOR INDUCING CONFORMATIONAL CHANGES IN CEREBLON OTHER E3 UBIQUITIN LIGASES

Provided herein are compositions, therapeutic methods, screening methods, computational methods and biomarkers based upon the elucidation of the interaction among cerebloR, its substrates and certain compounds or agents, including small molecules, peptides, and proteins.

METHODS OF TREATING CANCER USING 3-(5-AMINO-2-METHYL-4-OXO-4H-QUINAZOLIN-3-YL)-PIPERIDINE-2,6-DIONE

Provided herein are methods of treating, preventing and/or managing cancers, which comprise administering to a patient 3-(5-amino-2-methyl-4-oxo-4H-quinazolin-3-yl)-piperidine-2,6-dione, or an enantiomer or a mixture of enantiomers thereof, or a pharmaceutically acceptable salt, solvate, hydrate, co-crystal, clathrate, or polymorph thereof.