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Methyl 2-amino-5-bromo-3-nitrobenzoate is a chemical compound with the molecular formula C8H7BrN2O4. It is a yellow crystalline substance that is commonly used in organic synthesis and pharmaceutical research. As a derivative of benzoic acid, it contains both amino and nitro functional groups, making it valuable for the development of new drugs and biologically active molecules. Due to its potential toxic or harmful effects, it is important to handle and use this chemical with care.

636581-61-8

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636581-61-8 Usage

Uses

Used in Organic Synthesis:
Methyl 2-amino-5-bromo-3-nitrobenzoate is used as a key intermediate in the synthesis of various organic compounds. Its unique functional groups allow for versatile chemical reactions, enabling the creation of a wide range of molecules with different properties and applications.
Used in Pharmaceutical Research:
In the pharmaceutical industry, methyl 2-amino-5-bromo-3-nitrobenzoate is used as a building block for the development of new drugs and biologically active molecules. Its presence of both amino and nitro groups provides opportunities for further functionalization and modification, leading to the discovery of novel therapeutic agents with improved efficacy and selectivity.
Used in Drug Design and Development:
Methyl 2-amino-5-bromo-3-nitrobenzoate is utilized in drug design and development processes to create molecules with specific biological activities. Its structural features can be exploited to target particular receptors, enzymes, or other biological targets, resulting in the development of drugs with desired pharmacological properties.
Used in Medicinal Chemistry:
In medicinal chemistry, methyl 2-amino-5-bromo-3-nitrobenzoate serves as a valuable starting material for the synthesis of potential drug candidates. Its chemical properties and reactivity can be harnessed to generate a diverse array of compounds with potential therapeutic applications.
Used in Chemical Research:
Methyl 2-amino-5-bromo-3-nitrobenzoate is also used in chemical research to study the properties and reactivity of functional groups. Understanding its behavior in various chemical reactions can provide insights into the design and synthesis of new molecules with specific characteristics and applications.

Check Digit Verification of cas no

The CAS Registry Mumber 636581-61-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 6,3,6,5,8 and 1 respectively; the second part has 2 digits, 6 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 636581-61:
(8*6)+(7*3)+(6*6)+(5*5)+(4*8)+(3*1)+(2*6)+(1*1)=178
178 % 10 = 8
So 636581-61-8 is a valid CAS Registry Number.
InChI:InChI=1/C8H7BrN2O4/c1-15-8(12)5-2-4(9)3-6(7(5)10)11(13)14/h2-3H,10H2,1H3

636581-61-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 2-amino-5-bromo-3-nitrobenzoate

1.2 Other means of identification

Product number -
Other names 2-Amino-5-bromo-3-nitro-benzoic acid methyl ester

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:636581-61-8 SDS

636581-61-8Relevant academic research and scientific papers

BENZIMIDAZOLES DERIVATIVES AS ANTI-TUBERCULOSIS AGENTS

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Page/Page column 10, (2020/10/09)

The present invention provides novel compounds of benzimidazole derivatives as anti-tubercular agents and their pharmaceutically acceptable salts for use as bactericidal therapeutics. The invention also provides a pharmaceutical composition comprising a c

Scaffold Morphing To Identify Novel DprE1 Inhibitors with Antimycobacterial Activity

Manjunatha,Shandil, Radha,Panda, Manoranjan,Sadler, Claire,Ambady, Anisha,Panduga, Vijender,Kumar, Naveen,Mahadevaswamy, Jyothi,Sreenivasaiah,Narayan, Ashwini,Guptha, Supreeth,Sharma, Sreevalli,Sambandamurthy, Vasan K.,Ramachandran, Vasanthi,Mallya, Meenakshi,Cooper, Christopher,Mdluli, Khisi,Butler, Scott,Tommasi, Ruben,Iyer, Pravin S.,Narayanan, Shridhar,Chatterji, Monalisa,Shirude, Pravin S.

supporting information, p. 1480 - 1485 (2019/10/19)

We report a novel benzimidazole (BI) based DprE1 inhibitor that resulted from scaffold morphing of a 1,4-azaindole series. The clinical progression of the 1,4-azaindole series from our previous work validates the potential of exploring newer chemical enti

1, 4, 6-TRISUBSTITUTED-2-ALKYL-1H-BENZO[D]IMIDAZOLE DERIVATIVES AS DIHYDROOROTATE OXYGENASE INHIBITORS

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, (2018/09/19)

The present invention provides 1, 4, 6-trisubstituted-2-alkyl-1H-benzo[d]imidazole derivatives as dihydroorotate oxygenase inhibitor compounds of formula (I), which may be therapeutically useful as DHODH inhibitors, in which R1 to R3

COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS

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Paragraph 0751, (2017/03/14)

Compounds, methods of use, and processes for making inhibitors of complement Factor D are provided comprising Formula I, I" and I'" or a pharmaceutically acceptable salt or composition thereof. The inhibitors described herein target Factor D and inhibit or regulate the complement cascade. The inhibitors of Factor D described herein reduces the excessive activation of complement.

SUBSTITUTED QUINOXALINE DERIVATIVES

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Page/Page column 347; 348, (2016/12/01)

The present invention relates to substituted quinoxaline derivatives. These compounds are useful for the prevention and/or treatment of several medical conditions including hyperproliferative disorders and diseases.

DIHYDROOROTATE DEHYDROGENASE INHIBITORS

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Page/Page column 73, (2010/11/03)

The invention relates to compounds of formula (I) wherein R1, R2, X1, X2, Y, Ra, Rb, Q have the meanings given in claim 1. The compounds are useful e.g. in the treatment of autoimmune disorders, such as multiple sclerosis and also in the treatment of cancer disorders.

Novel dual-targeting benzimidazole urea inhibitors of DNA gyrase and topoisomerase IV possessing potent antibacterial activity: Intelligent design and evolution through the judicious use of structure-guided design and stucture-activity relationships

Charifson, Paul S.,Grillot, Anne-Laure,Grossman, Trudy H.,Parsons, Jonathan D.,Badia, Michael,Bellon, Steve,Deininger, David D.,Drumm, Joseph E.,Gross, Christian H.,LeTiran, Arnaud,Liao, Yusheng,Mani, Nagraj,Nicolau, David P.,Perola, Emanuele,Ronkin, Steven,Shannon, Dean,Swenson, Lora L.,Tang, Qing,Tessier, Pamela R.,Tian, Ski-Kai,Trudeau, Martin,Wang, Tiansheng,Wei, Yunyi,Zhang, Hong,Stamos, Dean

experimental part, p. 5243 - 5263 (2009/07/01)

The discovery of new antibacterial agents with novel mechanisms of action is necessary to overcome the problem of bacterial resistance that affects all currently used classes of antibiotics. Bacterial DNA gyrase and topoisomerase IV are well-characterized clinically validated targets of the fluoroquinolone antibiotics which exert their antibacterial activity through inhibition of the catalytic subunits. Inhibition of these targets through interaction with their ATP sites has been less clinically successful. The discovery and characterization of a new class of low molecular weight, synthetic inhibitors of gyrase and topoisomerase IV that bind to the ATP sites are presented. The benzimidazole ureas are dual targeting inhibitors of both enzymes and possess potent antibacterial activity against a wide spectrum of relevant pathogens responsible for hospital- and community-acquired infections. The discovery and optimization of this novel class of antibacterials by the use of structure-guided design, modeling, and structure-activity relationships are described. Data are presented for enzyme inhibition, antibacterial activity, and in vivo efficacy by oral and intravenous administration in two rodent infection models.

ANTIBACTERIAL COMPOSITIONS

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, (2008/06/13)

Compounds of formula (I) have antibacterial activity: wherein: m is 0 or 1 ; Q is hydrogen or cyclopropyl; AIk is an optionally substituted, divalent C1-C6 alkylene, alkenylene or alkynylene radical which may contain an ether (-O-), thioether (-S-) or amino (-NR)- link, wherein R is hydrogen, -CN or C1-C3 alkyl; X is -C(=O)NR6-, -S(O)NR6-, -C(=O)O- or -S(=O)O- wherein R6 is hydrogen, optionally substituted C1-C6 alkyl, C2-C6 alkenyl, C2-C6 alkynyl, -Cyc, or -( C1-C3 alkyl)-Cyc wherein Cyc is optionally substituted monocyclic carbocyclic or heterocyclic having 3-7 ring atoms; Z is N or CH, or CF; R2 and R3 are as defined in the description.

ORGANIC COMPOUNDS

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Page/Page column 27, (2008/06/13)

Compounds of formula (I) in free or salt form, where Y, R1, R2, R3, R4 and R5 have the meanings as indicated in the specification, are useful for treating conditions that are mediated by the CXCR2 receptor. Pharmaceutical compositions that contain the compounds and a process for preparing the compounds are also described.

2-UREIDO-6-HETEROARYL-3H-BENZOIMIDAZOLE-4-CARBOXYLIC ACID DERIVATIVES AND RELATED COMPOUNDS AS GYRASE AND/OR TOPOISOMERASE IV INHIBITORS FOR THE TREATMENT OF BACTERIAL INFECTIONS

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Page 48, (2010/02/05)

The present invention relates to compounds of formula I, wherein X, Q, W, R1, R2 and R3 are as defined in the claims, which inhibit bacterial gyrase and/or Topo IV and pharmaceutically acceptable compositions comprising said compounds. These compounds, and compositions thereof, are useful in treating bacterial infection. Accordingly, the present invention also relates to methods for treating bacterial infections in, mammals. The present invention also relates to a method for preparing these compounds.

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