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Methyl 5-bromomethyl-2-nitro-benzoate is a chemical compound characterized by its molecular formula C9H8BrNO5. It is a yellow solid with a molecular weight of 274.07 g/mol. Methyl 5-bromomethyl-2-nitro-benzoate is utilized in various chemical and pharmaceutical applications due to its unique structure and properties.

88071-91-4

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88071-91-4 Usage

Uses

Used in Organic Synthesis:
Methyl 5-bromomethyl-2-nitro-benzoate is used as a building block in organic synthesis for the creation of a variety of compounds. Its presence of a bromomethyl group and nitro functionality allows for versatile chemical reactions, making it a valuable intermediate in the synthesis of complex organic molecules.
Used in Pharmaceutical Research:
In the pharmaceutical industry, Methyl 5-bromomethyl-2-nitro-benzoate is employed as a key intermediate in the development of new drugs. Its unique structure can be modified to produce active pharmaceutical ingredients, contributing to the advancement of medicinal chemistry.
Safety and Storage:
It is crucial to handle Methyl 5-bromomethyl-2-nitro-benzoate with care due to its harmful nature if ingested, inhaled, or comes into contact with the skin. To ensure safety, it should be stored in a cool, dry place, away from heat and sources of ignition. Proper storage conditions help maintain the integrity and stability of the compound, preventing potential hazards.

Check Digit Verification of cas no

The CAS Registry Mumber 88071-91-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,8,0,7 and 1 respectively; the second part has 2 digits, 9 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 88071-91:
(7*8)+(6*8)+(5*0)+(4*7)+(3*1)+(2*9)+(1*1)=154
154 % 10 = 4
So 88071-91-4 is a valid CAS Registry Number.

88071-91-4SDS

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 5-(bromomethyl)-2-nitrobenzoate

1.2 Other means of identification

Product number -
Other names METHYL 5-BROMOMETHYL-2-NITRO-BENZOATE

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:88071-91-4 SDS

88071-91-4Relevant academic research and scientific papers

Discovery and Structure-Activity Relationships of Quinazolinone-2-carboxamide Derivatives as Novel Orally Efficacious Antimalarials

Laleu, Beno?t,Akao, Yuichiro,Ochida, Atsuko,Duffy, Sandra,Lucantoni, Leonardo,Shackleford, David M.,Chen, Gong,Katneni, Kasiram,Chiu, Francis C. K.,White, Karen L.,Chen, Xue,Sturm, Angelika,Dechering, Koen J.,Crespo, Benigno,Sanz, Laura M.,Wang, Binglin,Wittlin, Sergio,Charman, Susan A.,Avery, Vicky M.,Cho, Nobuo,Kamaura, Masahiro

, p. 12582 - 12602 (2021/09/13)

A phenotypic high-throughput screen allowed discovery of quinazolinone-2-carboxamide derivatives as a novel antimalarial scaffold. Structure-activity relationship studies led to identification of a potent inhibitor 19f, 95-fold more potent than the origin

A nitroreductase and glutathione responsive nanoplatform for integration of gene delivery and near-infrared fluorescence imaging

Barz, Matthias,Bi, Qunjie,Chen, Xiaobing,Hu, Ao,Jin, Rongrong,Ke, Bowen,Liang, Hong,Nie, Yu,Song, Xu

supporting information, p. 6949 - 6952 (2020/07/13)

A novel platform rationally integrating indocyanine green analogues and an arginine-rich dendritic peptide with both nitroreductase (NTR) and glutathione (GSH) reduction responsive linkers was developed. This multifunctional platform can enable selective

Near-infrared dye, its targeting imaging agent, nano-carrier and anti-cancer drug and application (by machine translation)

-

Paragraph 0123; 0139-0141, (2019/01/16)

This invention relates to a near-infrared fluorescent dye, its construction of targeted imaging agent, nano-carrier and anti-cancer drug and application. The invention said near infrared fluorescent dyes with the hydrophilic glycodendrimer through environmental sensitive key connected to form having self-assembling ability of the amphiphilic dendrimers. Hydrophilic dendrimers to lysine and arginine as the skeleton structure, has good tumor target and puts on the membrane. Amphipathic molecule also having a nitro reductase response, can be self-assembled into nano liposome or micelle or vesicle, for gene and/or pharmaceutical carrier, the carrier in the tumor micro-environment de-assembly, and/or drug release gene, in order to realize the purpose of treatment. The amphiphilic molecule also can be in the near-infrared illumination to generate active oxygen, can be used for photodynamic therapy. Said molecule self-assembly after assembling the front and rear reconciliation are fluorescent quenching state, only in the tumor cell nitro reductase under the action of the strong fluorescent will only be, and penetration force is stronger, more precise. (by machine translation)

Anti-inflammatory agents

-

, (2016/02/05)

Disclosed are novel compounds that are useful in regulating the expression of interleukin-6 (IL-6) and/or vascular cell adhesion molecule-1 (VCAM-1), and their use in the treatment and/or prevention of cardiovascular and inflammatory diseases and related disease states, such as, for example, atherosclerosis, asthma, arthritis, cancer, multiple sclerosis, psoriasis, and inflammatory bowel diseases, and autoimmune disease(s). Also, disclosed are compositions comprising the novel compounds, as well as methods for their preparation.

TREATMENT OF DISEASES BY EPIGENETIC REGULATION

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Paragraph 0413; 0414, (2013/11/05)

The present disclosure provides non-naturally occurring polyphenol compounds that inhibit the bromodomain and extra terminal domain (BET) proteins. The disclosed compositions and methods can be used for treatment and prevention of diseases or disorders that are susceptible to administration of a BET inhibitor.

NOVEL ANTI-INFLAMMATORY AGENTS

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Page/Page column 70-72, (2010/11/05)

Disclosed are methods of regulating interleukin-6 (IL-6) and/or vascular cell adhesion molecule-1 (VCAM-1) and methods of treating and/or preventing cardiovascular and inflammatory diseases and related disease states, such as, for example, atherosclerosis, asthma, arthritis, cancer, multiple sclerosis, psoriasis, and inflammatory bowel diseases, and autoimmune disease(s) by administering a naturally occurring or synthetic quinazolone derivative. The invention provides novel synthetic quinazolone compounds, as well as pharmaceutical compositions comprising those compounds.

6-, 7-, or 8-Substituted Quinazolinone Derivatives and Compositions Comprising and Methods of Using the Same

-

Page/Page column 27, (2009/04/24)

Provided are quinazolinone compounds, and pharmaceutically acceptable salts, solvates, clathrates, stereoisomers, and prodrugs thereof. Methods of use, and pharmaceutical compositions of these compounds are disclosed.

PROCESS FOR PRODUCTION OF PHENYLALANINE DERIVATIVES HAVING QUINAZOLINEDIONE SKELETONS AND INTERMEDIATES FOR THE PRODUCTION

-

Page/Page column 35, (2009/10/01)

A method for preparing a phenylalanine derivative having a quinazoline-dione ring represented by the following formula (1) or a pharmaceutically acceptable salt thereof, comprising the following steps (a), (b) and (c): (a) reacting an acyl phenylalanine d

Design, synthesis and identification of novel colchicine-derived immunosuppressant

Chang, Dong-Jo,Yoon, Eun-Young,Lee, Geon-Bong,Kim, Soon-Ok,Kim, Wan-Joo,Kim, Young-Myeong,Jung, Jong-Wha,An, Hongchan,Suh, Young-Ger

scheme or table, p. 4416 - 4420 (2010/04/05)

Synthesis and biological evaluation of various colchicine analogues through the mixed-lymphocyte reaction (MLR), lymphoproliferation, and inhibitory effects on the inflammatory genes are described. In addition, a new series of immunosuppressive agents developed on the structural basis of colchicine, as well as their structure-activity relationships is reported. The most potent analogue 20a exhibited an excellent immunosuppressive activity on in vivo skin-allograft model, which is comparable to that of cyclosporin A.

Discovering novel chemical inhibitors of human cyclophilin A: Virtual screening, synthesis, and bioassay

Li, Jian,Chen, Jing,Gui, Chunshan,Zhang, Li,Qin, Yu,Xu, Qiang,Zhang, Jian,Liu, Hong,Shen, Xu,Jiang, Hualiang

, p. 2209 - 2224 (2007/10/03)

Cyclophilin A (CypA) is a member of cyclophilins, a family of the highly homologous peptidyl prolyl cis-trans isomerases (PPIases), which can bind to cyclosporin A (CsA). CypA plays critical roles in various biological processes, including protein folding, assembly, transportation, regulation of neuron growth, and HIV replication. The discovery of CypA inhibitor is now of a great special interest in the treatment of immunological disorders. In this study, a series of novel small molecular CypA inhibitors have been discovered by using structure-based virtual screening in conjunction with chemical synthesis and bioassay. The SPECS_1 database containing 85,000 small molecular compounds was searched by virtual screening against the crystal structure of human CypA. After SPR-based binding affinity assay, 15 compounds were found to show binding affinities to CypA at submicro-molar or micro-molar level (compounds 1-15). Seven compounds were selected as the starting point for the further structure modification in considering binding activity, synthesis difficulty, and structure similarity. We thus synthesized 40 new small molecular compounds (1-6, 15, 16a-q, 17a-d, and 18a-l), and four of which (compounds 16b, 16h, 16k, and 18g) showed high CypA PPIase inhibition activities with IC50s of 2.5-6.2 μM. Pharmacological assay indicated that these four compounds demonstrated somewhat inhibition activities against the proliferation of spleen cells.

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