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4-Nitrobenzoic acid

Name: 4-Nitrobenzoic acid
Brand: TargetMol
SKU: T20882
Price: 34 USD
Availability: InStock
Rating: 5 (10 reviews)

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Catalog No. T20882Cas No. 62-23-7

Alias Nitrodracylic acid, Kyselina p-nitrobenzoova, 4Nitrobenzoic acid, 4 Nitrobenzoic acid

4-Nitrobenzoic acid (4Nitrobenzoic acid) is a pharmaceutical intermediate often found in the production of folic acid, DABA, PABA and dyes.

4-Nitrobenzoic acid

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Purity: 98.85

Catalog No. T20882Alias Nitrodracylic acid, Kyselina p-nitrobenzoova, 4Nitrobenzoic acid, 4 Nitrobenzoic acidCas No. 62-23-7

4-Nitrobenzoic acid (4Nitrobenzoic acid) is a pharmaceutical intermediate often found in the production of folic acid, DABA, PABA and dyes.

Pack Size	Price	USA Warehouse	Global Warehouse
50 mg	$34	-	In Stock
100 mg	$47	-	In Stock
500 mg	$116	-	In Stock
1 g	$172	-	In Stock
5 g	$423	-	In Stock

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In Stock Estimated shipping dateUSA Warehouse[1-2 days] Global Warehouse[5-7 days]

All TargetMol products are for research purposes only and cannot be used for human consumption. We do not provide products or services to individuals. Please comply with the intended use and do not use TargetMol products for any other purpose.

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Batch Information

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Purity:98.85

Appearance:Solid

Color:White

Resource Download

COA HNMR HPLC

Product Introduction

4-Nitrobenzoic acid AI Summary

4-Nitrobenzoic acid is a multifaceted bioactive molecule exhibiting a range of biochemical and pharmacological activities. It has a Hammett constant of 0.78, indicating its electronic effect in chemical reactions. With a partition coefficient (LogD) of 1.84, it is moderately lipophilic, and its log LD50 value of -1.52 suggests a notable toxicological profile. The inhibitory potency of the compound is reflected by a pI50 value of 501187.23 nM in a specific assay, and it achieves notable concentrations in rat kidney and liver, with Log M values of 1.02 and 0.79, respectively. Additionally, it binds to beta cyclodextrin with a log Ks value of 2.34 and inhibits human kidney thiopurine methyltransferase (TPMT) with an IC50 of 501187.23 nM. 4-Nitrobenzoic acid demonstrates significant multifunctional bioactivities, including inhibition of Tyrosyl-DNA Phosphodiesterase (TDP1), blocking Anthrax Lethal Toxin Internalization, antagonizing thyroid hormone receptor beta signaling and peroxisome proliferator-activated receptors gamma and delta signaling, as well as exerting effects on HIV-1 protein Vpr. It inhibits Protobothrops flavoviridis venom-induced hemorrhagic lesions in ddY mice with an IC50 of 240.0 nM and has a dissociation constant with a pKa of 3.42. Toxicologically, the pLD50 in orally dosed rats is reported as 7.58, indicating a lethal dose for half of the test population. Despite its myriad activities, 4-Nitrobenzoic acid shows limited inhibition (6.0%) of recombinant human IDO1 using L-tryptophan as a substrate. It also affects mollusc neuronal membrane potential with a fold change of -0.52 relative to salicylic acid at pH 7.8. Further research from DrugMatrix highlights 4-Nitrobenzoic acid's influence on various physiological systems, including liver (ALT, ALP, AST), kidney (BUN), electrolyte balance (CO2, chloride, potassium, sodium), lipid metabolism (cholesterol, lipase), and blood cell counts (RBC, WBC, platelets), suggesting comprehensive systemic effects..

Note: Summary generated by AI. Data source: ChEMBL

Bioactivity

Description	4-Nitrobenzoic acid (4Nitrobenzoic acid) is a pharmaceutical intermediate often found in the production of folic acid, DABA, PABA and dyes.
Targets&IC50	A549 cells:5.3 µM, HT29 cells:8.4 µM
Synonyms	Nitrodracylic acid, Kyselina p-nitrobenzoova, 4Nitrobenzoic acid, 4 Nitrobenzoic acid

Chemical Properties

Molecular Weight	167.12
Formula	C₇H₅NO₄
Cas No.	62-23-7
Smiles	OC(=O)C1=CC=C(C=C1)[N+]([O-])=O
Relative Density.	1.61 g/cm3

Storage & Solubility Information

Storage

keep away from direct sunlight | Powder: -20°C for 3 years | In solvent: -80°C for 1 year

Solubility Information

DMSO: 55 mg/mL (329.1 mM), Sonication is recommended.

Solution Preparation Table

DMSO

	1mg	5mg	10mg	50mg
1 mM	5.9837 mL	29.9186 mL	59.8372 mL	299.1862 mL
5 mM	1.1967 mL	5.9837 mL	11.9674 mL	59.8372 mL
10 mM	0.5984 mL	2.9919 mL	5.9837 mL	29.9186 mL
20 mM	0.2992 mL	1.4959 mL	2.9919 mL	14.9593 mL
50 mM	0.1197 mL	0.5984 mL	1.1967 mL	5.9837 mL
100 mM	0.0598 mL	0.2992 mL	0.5984 mL	2.9919 mL

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In Vivo Formulation Calculator (Clear solution)

Please enter your animal experiment information in the following box and click Calculate to obtain the stock solution preparation method and in vivo formula preparation method:

For example, if the intended dosage is 10 mg/kg for animals weighing 20 g , with a dosing volume of 100 μL per animal, TargetMol | Animal experiments

and a total of 10 animals are to be administered, using a formulation of TargetMol | reagent

10% DMSO+ 40% PEG300+ 5% Tween 80+ 45% Saline/PBS/ddH₂O , the resulting working solution concentration would be 2 mg/mL.

Stock Solution Preparation:

Dissolve 2 mg of the compound in 100 μL DMSO TargetMol | reagent to obtain a stock solution at a concentration of 20 mg/mL . If the required concentration exceeds the compound's known solubility, please contact us for technical support before proceeding.

Preparation of the In Vivo Formulation:

1) Add 100 μL of the DMSO TargetMol | reagent stock solution to 400 μL PEG300 and mix thoroughly until the solution becomes clear.

2) Add 50 μL Tween 80 and mix well until fully clarified.

3) Add 450 μL Saline,PBS or ddH₂O TargetMol | reagent and mix thoroughly until a homogeneous solution is obtained.

This example is provided solely to demonstrate the use of the In Vivo Formulation Calculator and does not constitute a recommended formulation for any specific compound. Please select an appropriate dissolution and formulation strategy based on your experimental model and route of administration.

All co-solvents required for this protocol, includingDMSO, PEG300/PEG400, Tween 80, SBE-β-CD, and Corn oil, are available for purchase on the TargetMol website.

Dose Conversion

You can also refer to dose conversion for different animals. More Dose Conversion

Tech Support

Please see Inhibitor Handling Instructions for more frequently ask questions. Topics include: how to prepare stock solutions, how to store products, and cautions on cell-based assays & animal experiments, etc