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4-Nitro-1H-imidazole-5-carboxylic acid is an organic compound with the molecular formula C4H2N3O5. It belongs to the class of organic compounds known as nitroimidazoles, which are characterized by an imidazole ring bearing a nitro group (NO2). 4-Nitro-1H-imidazole-5-carboxylic acid has potential as a precursor in various organic syntheses, particularly in the pharmaceutical industry, due to its pKa values, solubility, polar surface area, and hydrogen bond acceptor and donor characteristics. These properties suggest that it could be utilized in drug development for specificity and selectivity.

40507-59-3

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40507-59-3 Usage

Uses

Used in Pharmaceutical Industry:
4-Nitro-1H-imidazole-5-carboxylic acid is used as a precursor in the synthesis of various pharmaceutical compounds. Its unique structure and properties, such as the nitro group and imidazole ring, make it a valuable building block for the development of new drugs with specific and selective actions.
Used in Organic Synthesis:
4-Nitro-1H-imidazole-5-carboxylic acid is used as a key intermediate in the synthesis of other organic compounds. Its reactivity and functional groups allow for further chemical modifications, enabling the creation of a wide range of molecules with diverse applications.
However, it is important to note that detailed information about the compound, including its uses, safety procedures, and potential risks, is not readily available. This may indicate that 4-Nitro-1H-imidazole-5-carboxylic acid is not yet widely used or studied in various industries. Further research and development are needed to fully explore its potential applications and establish its safety and efficacy.

Check Digit Verification of cas no

The CAS Registry Mumber 40507-59-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,0,5,0 and 7 respectively; the second part has 2 digits, 5 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 40507-59:
(7*4)+(6*0)+(5*5)+(4*0)+(3*7)+(2*5)+(1*9)=93
93 % 10 = 3
So 40507-59-3 is a valid CAS Registry Number.
InChI:InChI=1/C4H3N3O4/c8-4(9)2-3(7(10)11)6-1-5-2/h1H,(H,5,6)(H,8,9)

40507-59-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-Nitro-1H-imidazole-4-carboxylic acid

1.2 Other means of identification

Product number -
Other names 4-NITRO-1H-IMIDAZOLE-5-CARBOXYLIC ACID

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:40507-59-3 SDS

40507-59-3Relevant academic research and scientific papers

Analogs of iso-azepinomycin as potential transition-state analog inhibitors of guanase: Synthesis, biochemical screening, and structure-activity correlations of various selectively substituted imidazo[4,5-e][1,4]diazepines

Tantravedi, Saritha,Chakraborty, Saibal,Shah, Niti H.,Fishbein, James C.,Hosmane, Ramachandra S.

, p. 4893 - 4903 (2013/09/02)

Guanase is an important enzyme of the purine salvage pathway of nucleic acid metabolism and its inhibition has beneficial implications in viral, bacterial, and cancer therapy. The work described herein is based on a hypothesis that azepinomycin, a heterocyclic natural product and a purported transition state analog inhibitor of guanase, does not represent the true transition state of the enzyme-catalyzed reaction as closely as does iso-azepinomycin, wherein the 6-hydroxy group of azepinomycin has been translocated to the 5-position. Based on this hypothesis, and assuming that iso-azepinomycin would bind to guanase at the same active site as azepinomycin, several analogs of iso-azepinomycin were designed and successfully synthesized in order to gain a preliminary understanding of the hydrophobic and hydrophilic sites surrounding the guanase binding site of the ligand. Specifically, the analogs were designed to explore the hydrophobic pockets, if any, in the vicinity of N1, N3, and N4 nitrogen atoms as well as O5 oxygen atom of iso-azepinomycin. Biochemical inhibition studies of these analogs were performed using a mammalian guanase. Our results indicate that (1) increasing the hydrophobicity near O5 results in a negative effect, (2) translocating the hydrophobicity from N3 to N1 also results in decreased inhibition, (3) increasing the hydrophobicity near N3 or N4 produces significant enhancement of inhibition, (4) increasing the hydrophobicity at either N3 or N4 with a simultaneous increase in hydrophobicity at O5 considerably diminishes any gain in inhibition made by solely enhancing hydrophobicity at N3 or N4, and (5) finally, increasing the hydrophilic character near N3 has also a deleterious effect on inhibition. The most potent compound in the series has a Ki value of 8.0 ± 1.5 μM against rabbit liver guanase.

IMIDAZOTETRAZINONE-BASED COMBI-MOLECULES

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Page/Page column 6-7, (2012/11/13)

A series of new chemical agents that demonstrate anti-tumor activity are described herein. The new chemical agents exhibit a dual mode of anti-tumor action: blocking epidermal growth factor receptor (EGFR) mediated signal transduction and damaging DNA by alkylation.

The Synthesis of Ring-expanded Analogues of Xanthine Containing the Imidazodiazepine Ring System

Hosmane, Ramachandra S.,Bhan, Anila

, p. 2189 - 2196 (2007/10/02)

The synthesis of 4,5,7,8-tetrahydro-6H-imidazodiazepine-5,8-dione and its several 1- and 3-alkyl (aralkyl) derivatives 2 has been reported.Mechanistic explorations of the final synthetic step as well as structural confirmation of a final produ

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