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3-BENZOYLAMINO-BENZOIC ACID, also known as N-(benzoylamino)benzamide, is a chemical compound that features a benzoylamino group attached to a benzoic acid molecule. This structure endows it with unique properties, making it a versatile building block in organic synthesis and a promising candidate in pharmaceutical research for its potential interactions with biological systems.

587-54-2

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587-54-2 Usage

Uses

Used in Organic Synthesis:
3-BENZOYLAMINO-BENZOIC ACID is used as a building block in organic synthesis for constructing more complex molecules. Its unique structure allows for the creation of a variety of compounds with diverse applications.
Used in Pharmaceutical Research:
In pharmaceutical research, 3-BENZOYLAMINO-BENZOIC ACID is utilized as a key component in the development of new drugs. Its ability to interact with biological systems makes it a valuable tool in medicinal chemistry for designing and optimizing pharmaceutical agents.
Used in Medical Applications:
3-BENZOYLAMINO-BENZOIC ACID is studied for its potential anti-inflammatory properties, making it a candidate for the development of treatments for various inflammatory conditions.
Used in Agricultural Applications:
3-BENZOYLAMINO-BENZOIC ACID has also been investigated for its antimicrobial properties, which could be harnessed in agriculture for the development of new antimicrobial agents to protect crops and enhance food safety.
Used in Drug Development:
3-BENZOYLAMINO-BENZOIC ACID is employed in drug development for its potential to contribute to the creation of novel therapeutic agents, particularly in the areas of anti-inflammatory and antimicrobial drug classes.

Check Digit Verification of cas no

The CAS Registry Mumber 587-54-2 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,8 and 7 respectively; the second part has 2 digits, 5 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 587-54:
(5*5)+(4*8)+(3*7)+(2*5)+(1*4)=92
92 % 10 = 2
So 587-54-2 is a valid CAS Registry Number.
InChI:InChI=1/C14H11NO3/c16-13(10-5-2-1-3-6-10)15-12-8-4-7-11(9-12)14(17)18/h1-9H,(H,15,16)(H,17,18)

587-54-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-benzamidobenzoic acid

1.2 Other means of identification

Product number -
Other names Benzoic acid, 3-(benzoylamino)-

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:587-54-2 SDS

587-54-2Relevant academic research and scientific papers

Aminobenzoic acid derivatives as antioxidants and cholinesterase inhibitors; synthesis, biological evaluation and molecular docking studies

Iftikhar, Kiran,Murtaza, Shahzad,Kousar, Naghmana,Abbas, Aadil,Tahir, Muhammad Nawaz

, p. 385 - 396 (2018/04/23)

Cholinesterase namely, acetyl- and butyrylcholinesterase (AChE and BChE, respectively), has been recognized as a primary class of enzyme that hydrolyzes the acetylcholine (ACh) neurotransmitter in synaptic junctions. Diminished levels of the neurotransmitter in synaptic junction lead to Alzheimerís disease (AD). Inhibition of cholinesterase is thus, an attractive strategy for AD treatment. The study includes the synthesis and characterization of a series of 2-, 3- and 4-aminobenzoic acid derivatives (1a?5c), their biological screening against cholinesterase enzyme and molecular docking study to demonstrate putative binding modes. Antioxidant potential of the synthesized series was also determined. The cholinesterase enzyme inhibition assay showed that compound 5b has the highest inhibition potential against acetylcholinesterase with an IC50 value of 1.66 ± 0.03 μM while in case of butyrylcholinesterase, compound 2c has the highest inhibitory potential with an IC50 value of 2.67 ± 0.05 μM. Molecular docking studies supports the results of enzyme inhibition potential with binding energy value ?G = -9.54 Kcal mol-1 for compound 5b in case for acetylcholinesterase while for butyrylcholinesterase, ?G = -5.53 Kcal mol-1 was obtained for compound 2c. The synthesized series of compounds also shows mild to moderate antioxidant potential. The benzoyl- containing compounds shows better antioxidant activity as compared to other derivatives of the synthesized series. Based on the molecular docking studies and enzyme inhibition potential, the synthesized series of compounds can be regarded as potent cholinesterase inhibitors and can be used for designing and synthesizing more potent drugs for Alzheimerís disease and neurodegenerative diseases.

Structure-Based Design and Synthesis of Novel Inhibitors Targeting HDAC8 from Schistosoma mansoni for the Treatment of Schistosomiasis

Heimburg, Tino,Chakrabarti, Alokta,Lancelot, Julien,Marek, Martin,Melesina, Jelena,Hauser, Alexander-Thomas,Shaik, Tajith B.,Duclaud, Sylvie,Robaa, Dina,Erdmann, Frank,Schmidt, Matthias,Romier, Christophe,Pierce, Raymond J.,Jung, Manfred,Sippl, Wolfgang

supporting information, p. 2423 - 2435 (2016/04/10)

Schistosomiasis is a major neglected parasitic disease that affects more than 265 million people worldwide and for which the control strategy consists of mass treatment with the only available drug, praziquantel. In this study, a series of new benzohydroxamates were prepared as potent inhibitors of Schistosoma mansoni histone deacetylase 8 (smHDAC8). Crystallographic analysis provided insights into the inhibition mode of smHDAC8 activity by these 3-amidobenzohydroxamates. The newly designed inhibitors were evaluated in screens for enzyme inhibitory activity against schistosome and human HDACs. Twenty-seven compounds were found to be active in the nanomolar range, and some of them showed selectivity toward smHDAC8 over the major human HDACs (1 and 6). The active benzohydroxamates were additionally screened for lethality against the schistosome larval stage using a fluorescence-based assay. Four of these showed significant dose-dependent killing of the schistosome larvae and markedly impaired egg laying of adult worm pairs maintained in culture.

Structure-based redesign of an edema toxin inhibitor

Chen, Deliang,Ma, Lili,Kanalas, John J.,Gao, Jian,Pawlik, Jennifer,Jimenez, Maria Estrella,Walter, Mary A.,Peterson, Johnny W.,Gilbertson, Scott R.,Schein, Catherine H.

experimental part, p. 368 - 376 (2012/03/22)

Edema factor (EF) toxin of Bacillus anthracis (NIAID category A), and several other toxins from NIAID category B Biodefense target bacteria are adenylyl cyclases or adenylyl cyclase agonists that catalyze the conversion of ATP to 3′,5′-cyclic adenosine mo

Design and synthesis of 8-substituted benzamido-phenylxanthine derivatives as MAO-B inhibitors

Song, Bo,Xiao, Tong,Qi, Xiaolu,Li, Ling-Na,Qin, Kuiyou,Nian, Siyun,Hu, Guo-Xin,Yu, Yinfei,Liang, Guang,Ye, Faqing

experimental part, p. 1739 - 1742 (2012/04/04)

Monoamine oxidase-B (MAO-B) inhibitor has been used as neuroprotectants to treat the motor deficits of Parkinson's disease (PD). We designed and synthesized a class of 8-substituted benzamido-phenylxanthine derivatives as MAO-B inhibitors. The compounds have various inhibitory effects, with compound 6a having a Ki value of 0.26 lM. Their promising activity in vitro suggests potential use in the treatment of PD.

PHARMACEUTICAL COMPOSITION FOR INHIBITING THE TRANSCRIPTION FACTOR INDUCIBLE BY HYPOXIA, MODULATORS OF PATHOLOGICAL PROCESSES OF ANGIOGENESIS, ONCOGENESIS, INFLAMMATION, APOPTOSIS, AND CELLULAR THERAPY

-

Page/Page column 21, (2011/04/18)

The present invention is included in the field of pharmacology and medical chemistry and relates to novel molecules represented by general formula (I), especially the one called FM19G11, as well as to pharmaceutical compositions containing them. Said pharmacologically optimized compositions are capable of modulating and/or inhibiting the transcription of genes modulated by the hypoxia-inducible transcription factor (HIF) and which are directly and/or indirectly involved in pathological processes related to cancer, inflammation, tissue repair, stem cell differentiation and regenerative therapy. The present invention also relates to a method for the synthesis of said molecules (I) and to the use thereof in the manufacture of a medicament for the treatment of the mentioned pathological processes.

COMPOSITION FOR PREVENTING HARMFUL ORGANISMS

-

Page/Page column 97-98, (2009/07/10)

There is a harmful organism that cannot be controlled or is difficult to be controlled with the use of a single agent of a compound represented by the general formula (1) according to the invention, an insecticide, a miticide or a fungicide. Accordingly, an object of the invention is to provide a composition for preventing harmful organisms for efficiently controlling such a harmful organism. That is, the invention is directed to a composition for preventing harmful organisms, characterized by comprising the compound represented by the general formula (1) and other insecticides, miticides or fungicides as active ingredients, wherein, in the formula, A1, A2, A3 and A4 independently represent a carbon atom, a nitrogen atom or an oxidized nitrogen atom, G1 and G2 independently represent an oxygen atom or a sulfur atom; R1 and R2 independently represent a hydrogen atom or a C1 to C4 alkyl group; Xs may be the same or different and represent a hydrogen atom, a halogen atom or a trifluoromethyl group; Q1 represents a substituent such as a phenyl group or a heterocyclic group; and Q2 represents a substituent such as a phenyl group or a heterocyclic group.)

PEST CONTROL COMPOSITION

-

Page/Page column 145, (2008/06/13)

There is a harmful organism that cannot be controlled or is difficult to be controlled with the use of a single agent of a compound represented by the general formula (1) according to the invention, an insecticide, a miticide or a bactericide. Accordingly, an object of the invention is to provide a composition for preventing harmful organisms for efficiently controlling such a harmful organism. That is, the invention is directed to a composition for preventing harmful organisms, characterized by comprising the compound represented by the general formula (1) and other insecticides, miticides or bactericides as active ingredients, wherein, in the formula, A1, A2, A3 and A4 independently represent a carbon atom, a nitrogen atom or an oxidized nitrogen atom; G1 and G2 independently represent an oxygen atom or a sulfur atom; R1 and R2 independently represent a hydrogen atom or a C1 to C4 alkyl group; Xs may be the same or different and represent a hydrogen atom, a halogen atom or a trifluoromethyl group; Q1 represents a substituent such as a phenyl group or a heterocyclic group; and Q2 represents a substituent such as a phenyl group or a heterocyclic group.)

INSECTICIDAL AND BACTERICIDAL COMPOSITION

-

Page/Page column 143, (2008/12/06)

An insecticidal and fungicidal composition capable of controlling crop diseases and insect pests at the same time by combining an insecticidal active ingredient and a fungicidal active ingredient is provided. The insecticidal and fungicidal composition is

Brine-mediated efficient benzoylation of primary amines and amino acids

Chattopadhyay, Gautam,Chakraborty, Suchandra,Saha, Chandan

experimental part, p. 4068 - 4075 (2009/04/11)

Benzoylation of primary amines and amino acids is efficiently carried out in a brine solution using a stoichiometric amount of benzoyl chloride followed by trituration with aqueous saturated bicarbonate solution. Copyright Taylor & Francis Group, LLC.

AMIDE DERIVATIVE AND PESTICIDE CONTAINING SUCH COMPOUND

-

Page/Page column 177, (2008/06/13)

Disclosed is a compound having high pesticidal effects which is represented by the general formula (1) below. Also disclosed is a pesticide containing such a compound as an active ingredient. (1) (In the formula, A1, A2, A3 and A4 respectively represent a carbon atom or the like; R1 and R2 respectively represents a hydrogen atom or the like; G1 and G2 respectively represents an oxygen atom or the like; X represents a hydrogen atom, a halogen atom or the like; n represents an integer of 0-4; Q1 represents a substituted phenyl group, a substituted heterocyclic group or the like; and Q2 represents a substituted phenyl group, a substituted heterocyclic group or the like.)

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