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3-Bromo-4-methyl-benzoyl chloride, with the chemical formula C8H6BrClO, is an organic compound that falls under the category of benzoyl chlorides. It is a colorless to pale yellow liquid with a pungent odor and is highly reactive, making it a valuable intermediate in various chemical syntheses.

21900-33-4

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21900-33-4 Usage

Uses

Used in Pharmaceutical Industry:
3-Bromo-4-methyl-benzoyl chloride is used as a key intermediate in the synthesis of pharmaceuticals. Its reactivity allows it to form bonds with other molecules, facilitating the creation of new drug compounds.
Used in Agrochemical Industry:
In the agrochemical sector, 3-Bromo-4-methyl-benzoyl chloride serves as an essential intermediate for the production of various agrochemicals. Its ability to react with other molecules contributes to the development of new compounds for agricultural applications.
Used in Organic Synthesis:
3-Bromo-4-methyl-benzoyl chloride is utilized as a versatile intermediate in organic synthesis for creating a range of organic compounds. Its high reactivity makes it suitable for forming bonds and constructing complex molecular structures.
It is crucial to handle 3-Bromo-4-methyl-benzoyl chloride with care due to its corrosive nature, which can cause skin and eye irritation upon contact. Proper safety measures should be taken to minimize risks during its use in various applications.

Check Digit Verification of cas no

The CAS Registry Mumber 21900-33-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,1,9,0 and 0 respectively; the second part has 2 digits, 3 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 21900-33:
(7*2)+(6*1)+(5*9)+(4*0)+(3*0)+(2*3)+(1*3)=74
74 % 10 = 4
So 21900-33-4 is a valid CAS Registry Number.

21900-33-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-BROMO-4-METHYL-BENZOYL CHLORIDE

1.2 Other means of identification

Product number -
Other names 3-Brom-4'-methylbenzophenon

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:21900-33-4 SDS

21900-33-4Relevant academic research and scientific papers

Design and Discovery of N-(2-Methyl-5′-morpholino-6′-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3′-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide (RAF709): A Potent, Selective, and Efficacious RAF Inhibitor Targeting RAS Mutant Cancers

Nishiguchi, Gisele A.,Rico, Alice,Tanner, Huw,Aversa, Robert J.,Taft, Benjamin R.,Subramanian, Sharadha,Setti, Lina,Burger, Matthew T.,Wan, Lifeng,Tamez, Victoriano,Smith, Aaron,Lou, Yan,Barsanti, Paul A.,Appleton, Brent A.,Mamo, Mulugeta,Tandeske, Laura,Dix, Ina,Tellew, John E.,Huang, Shenlin,Mathews Griner, Lesley A.,Cooke, Vesselina G.,Van Abbema, Anne,Merritt, Hanne,Ma, Sylvia,Gampa, Kalyani,Feng, Fei,Yuan, Jing,Wang, Yingyun,Haling, Jacob R.,Vaziri, Sepideh,Hekmat-Nejad, Mohammad,Jansen, Johanna M.,Polyakov, Valery,Zang, Richard,Sethuraman, Vijay,Amiri, Payman,Singh, Mallika,Lees, Emma,Shao, Wenlin,Stuart, Darrin D.,Dillon, Michael P.,Ramurthy, Savithri

, p. 4869 - 4881 (2017)

RAS oncogenes have been implicated in >30% of human cancers, all representing high unmet medical need. The exquisite dependency on CRAF kinase in KRAS mutant tumors has been established in genetically engineered mouse models and human tumor cells. To date

RECEPTOR TYROSINE KINASE INHIBITORS FOR TREATMENT OF PROTEIN KINASE MODULATION-RESPONSIVE DISEASE OR DISORDER

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Page/Page column 58; 59; 71; 72; 74; 75; 77; 78, (2021/03/19)

Ephrin type receptor tyrosine kinase inhibitors, also known as Eph tyrosine kinase receptor inhibitors, for treating cancer, an inflammatory disease, an autoimmune disease, or a degenerative disease characterized at least in part by the abnormal activity

Identification and optimization of 3-bromo-N’-(4-hydroxybenzylidene)-4-methylbenzohydrazide derivatives as mTOR inhibitors that induce autophagic cell death and apoptosis in triple-negative breast cancer

Xu, Tian,Zhang, Jifa,Yang, Chengcan,Pluta, Ryszard,Wang, Guan,Ye, Tinghong,Ouyang, Liang

, (2021/04/19)

Triple negative breast cancer (TNBC) has a worse prognosis than other types of breast cancer due to its special biological behavior and clinicopathological characteristics. TNBC cell proliferation and progression to metastasis can be suppressed by inducing cytostatic autophagy. mTOR is closely related to autophagy and is involved in protein synthesis, nutrient metabolism and activating mTOR promotes tumor growth and metastasis. In this paper, we adopted the strategy of structure simplification, aimed to look for novel small-molecule inhibitors of mTOR by pharmacophore-based virtual screening and biological activity determination. We found a lead compound with 3-bromo-N’-(4-hydroxybenzylidene)-4-methylbenzohydrazide for rational drug design and structural modification, then studied its structure-activity relationship. After that, compound 7c with the best TNBC cells inhibitory activities and superior mTOR enzyme inhibitory activity was obtained. In addition, we found that compound 7c could induce autophagic cell death and apoptosis in MDA-MB-231 and MDA-MB-468 cell lines. In conclusion, these findings provide new clues for our 3-bromo-N’-(4-hydroxybenzylidene)-4-methylbenzohydrazide derivatives, which are expected to become drug candidates for the treatment of TNBC in the future.

2-OXO-2,3-DIHYDRO-1H-IMIDAZO[4,5-B]PYRIDIN-6-YL)-4-METHYLBENZAMIDE DERIVATIVES AND SIMILAR COMPOUNDS AS RIPK2 INHIBITORS FOR TREATING E.G. AUTOIMMUNE DISEASES

-

Paragraph 0332-0333, (2020/10/20)

Disclosed are compounds of Formula 1, and pharmaceutically acceptable salts thereof, wherein α, β, R2, R3, R4, R5, R8, R9, X1, X6, and X7 are defined in the specification. The compounds of formula 1 are receptor-interacting protein kinase 2 (RIPK2) inhibitors for treating e.g. type I hypersensitivity reactions, autoimmune diseases, inflammatory disorders, cancer and non-malignant proliferative disorders, such as e.g. allergic rhinitis, asthma, atopic dermatitis, rheumatoid arthritis, multiple sclerosis, systemic lupus erythematosus, lupus nephritis, psoriasis, immune thrombocytopenic purpura, inflammatory bowel disease, chronic obstructive pulmonary disease, Sjogren's syndrome, ankylosing spondylitis, Behcet's disease, graft versus host disease, pemphigus vulgaris, idiopathic plasmacytic lymphadenopathy, atherosclerosis, myocardial infarction and thrombosis. The present description discloses the preparation of exemplary compounds as well as pharmacological data thereof (e.g. pages 107 to 208; examples 1 to 109; table 1). An exemplary compound is e.g. N-cyclopropyl-2-fluoro-5-(l-(2-fluoroethyl)-3-(l-hydroxy-2-methylpropan-2-yl)-2-oxo-2,3-dihydro-lH-imidazo[4,5-b]pyridin-6-yl)-4-methylbenzamide (example 1).

Macrofilaricidal Benzimidazole-Benzoxaborole Hybrids as an Approach to the Treatment of River Blindness: Part 2. Ketone Linked Analogs

Carter, David S.,Jacobs, Robert T.,Freund, Yvonne R.,Berry, Pamela W.,Akama, Tsutomu,Easom, Eric E.,Lunde, Christopher S.,Rock, Fernando,Stefanakis, Rianna,Mckerrow, James,Fischer, Chelsea,Bulman, Christina A.,Lim, Kee Chong,Suzuki, Brian M.,Tricoche, Nancy,Sakanari, Judy A.,Lustigman, Sara,Plattner, Jacob J.

, p. 180 - 185 (2020/02/13)

The optimization of a series of benzimidazole-benzoxaborole hybrid molecules linked via a ketone that exhibit good activity against Onchocerca volvulus, a filarial nematode responsible for the disease onchocerciasis, also known as river blindness, is desc

Structure-Activity Relationship of Phenylpyrazolones against Trypanosoma cruzi

Sijm, Maarten,Sterk, Geert Jan,Caljon, Guy,Maes, Louis,de Esch, Iwan J. P.,Leurs, Rob

supporting information, p. 1310 - 1321 (2020/05/08)

Chagas disease is a neglected parasitic disease caused by the parasitic protozoan Trypanosoma cruzi and currently affects around 8 million people. Previously, 2-isopropyl-5-(4-methoxy-3-(pyridin-3-yl)phenyl)-4,4-dimethyl-2,4-dihydro-3H-pyrazol-3-one (NPD-0227) was discovered to be a sub-micromolar inhibitor (pIC50=6.4) of T. cruzi. So far, SAR investigations of this scaffold have focused on the alkoxy substituent, the pyrazolone nitrogen substituent and the aromatic substituent of the core phenylpyrazolone. In this study, modifications of the phenyldihydropyrazolone scaffold are described. Variations were introduced by installing different substituents on the phenyl core, modifying the geminal dimethyl and installing various bio-isosteres of the dihydropyrazolone group. The anti T. cruzi activity of NPD-0227 could not be surpassed as the most potent compounds show pIC50 values of around 6.3. However, valuable additional SAR data for this interesting scaffold was obtained, and the data suggest that a scaffold hop is feasible as the pyrazolone moiety can be replaced by a oxazole or oxadiazole with minimal loss of activity.

CONDENSED IMIDAZOLE DERIVATIVES SUBSTITUTED BY TERTIARY HYDROXY GROUPS AS PI3K-GAMMA INHIBITORS

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Page/Page column 250-251, (2019/05/10)

This application relates to compounds of Formula (I): or pharmaceutically acceptable salts thereof, which are inhibitors of PI3K-y which are useful for the treatment of disorders such as autoimmune diseases, cancer, cardiovascular diseases, and neurodegenerative diseases.

ASK1 INHIBITOR AND PREPARATION METHOD AND USE THEREOF

-

Paragraph 0155, (2020/01/02)

The present disclosure relates to a compound as shown in formula (II), a tautomer or a pharmaceutically acceptable salt thereof, and disclosed is the use thereof in preparing a drug for treating an ASK1-associated disease.

NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family

Tr?ster, Alix,Heinzlmeir, Stephanie,Berger, Benedict-Tilman,Gande, Santosh L.,Saxena, Krishna,Sreeramulu, Sridhar,Linhard, Verena,Nasiri, Amir H.,Bolte, Michael,Müller, Susanne,Kuster, Bernhard,Médard, Guillaume,Kudlinzki, Denis,Schwalbe, Harald

supporting information, p. 1629 - 1633 (2018/07/31)

Erythropoietin-producing hepatocellular (EPH) receptors are transmembrane receptor tyrosine kinases. Their extracellular domains bind specifically to ephrin A/B ligands, and this binding modulates intracellular kinase activity. EPHs are key players in bid

As opioid receptor antagonists or inverse agonists of the novel compounds

-

Paragraph 0335-0337, (2016/10/08)

Novel compounds which are antagonists or inverse agonists at one or more of the opioid receptors, pharmaceutical compositions containing them, to processes for their preparation.

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