98187-18-9

Usage

Uses

Used in Pharmaceutical Synthesis:
4-Methoxy-3-(trifluoromethyl)benzoyl chloride is used as a synthetic intermediate for the development of pharmaceuticals. Its unique structure allows for the creation of novel drug molecules with potential therapeutic applications.
Used in Agrochemical Production:
In the agrochemical industry, 4-Methoxy-3-(trifluoromethyl)benzoyl chloride serves as a crucial component in the synthesis of various agrochemicals, contributing to the development of effective pest control agents and other agricultural products.
Used in Specialty Polymers:
4-Methoxy-3-(trifluoromethyl)benzoyl chloride is utilized in the production of specialty polymers, where its specific chemical properties can enhance the performance characteristics of the resulting polymers, such as their stability, durability, or reactivity.
Used in Organic Synthesis:
As an intermediate in organic synthesis, 4-Methoxy-3-(trifluoromethyl)benzoyl chloride plays a significant role in the preparation of complex organic molecules, including those with potential applications in materials science, chemical research, and other specialized fields.
Safety Considerations:
Due to its reactivity, 4-Methoxy-3-(trifluoromethyl)benzoyl chloride should be handled with caution. It can cause irritation to the skin, eyes, and respiratory system, necessitating proper safety measures during its use and storage.

InChI:InChI=1/C9H6ClF3O2/c1-15-7-3-2-5(8(10)14)4-6(7)9(11,12)13/h2-4H,1H3

Upstream product

• 79-37-8 oxalyl dichloride 
• 213598-09-5 4-methoxy-3-(trifluoromethyl)benzoic acid 

Downstream Products

• 950732-66-8 ethyl 7-(3-{[4-methoxy-3-(trifluoromethyl)benzoyl]amino}phenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate 
• 1198153-99-9 (2,3-dihydro-pyrido[4,3-b][1,4]oxazin-4-yl)-(4-methoxy-3-trifluoromethyl-phenyl)-methanone 
• 1191099-74-7 C₃₅H₅₁F₃N₂O₃ 
• 1191099-75-8 17-β-[(N-decyl)-3''-trifluoromethyl-4''-methoxybenzamido]-4-methyl-4-aza-5-α-androstan-3-one 
• 1191099-76-9 C₄₀H₆₁F₃N₂O₃ 
• 1100051-99-7 N-[2,6-bis[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-4-methoxy-3-(trifluoromethyl)benzamide 
• 259145-75-0 N-(3,3-Dimethyl-1,2,3,4-tetrahydro-2-trifluoroacetyl-isoquinolin-7-yl)-4-methoxy-3-trifluoromethylbenzamide 
• 544705-24-0 2-Bromo-4-methoxy-6-{[4-methoxy-3-(trifluoromethyl)benzoyl]amino}phenyl 4-methoxy-3-(trifluoromethyl)benzoate 
• 647010-80-8 3-(4-methoxy-3-trifluoromethyl-benzoylamino)-8,8-dimethyl-7,8-dihydro-5H-[1,6]naphthyridine-6-carboxylic acid tert-butyl ester 

Relevant academic research and scientific papers

Structure-Based Optimization of a Small Molecule Antagonist of the Interaction between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1)

WD repeat-containing protein 5 (WDR5) is an important component of the multiprotein complex essential for activating mixed-lineage leukemia 1 (MLL1). Rearrangement of the MLL1 gene is associated with onset and progression of acute myeloid and lymphoblastic leukemias, and targeting the WDR5-MLL1 interaction may result in new cancer therapeutics. Our previous work showed that binding of small molecule ligands to WDR5 can modulate its interaction with MLL1, suppressing MLL1 methyltransferase activity. Initial structure-activity relationship studies identified N-(2-(4-methylpiperazin-1-yl)-5-substituted-phenyl) benzamides as potent and selective antagonists of this protein-protein interaction. Guided by crystal structure data and supported by in silico library design, we optimized the scaffold by varying the C-1 benzamide and C-5 substituents. This allowed us to develop the first highly potent (Kdisp 100 nM) small molecule antagonists of the WDR5-MLL1 interaction and demonstrate that N-(4-(4-methylpiperazin-1-yl)-3′-(morpholinomethyl)-[1,1′-biphenyl]-3-yl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide 16d (OICR-9429) is a potent and selective chemical probe suitable to help dissect the biological role of WDR5.

From Lead to Drug Candidate: Optimization of 3-(Phenylethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine Derivatives as Agents for the Treatment of Triple Negative Breast Cancer

Herein we report the sophisticated process of structural optimization toward a previously disclosed Src inhibitor, compound 1, which showed high potency in the treatment of triple negative breast cancer (TNBC) both in vitro and in vivo but had considerable toxicity. A series of 3-(phenylethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine derivatives were synthesized. In vitro cell-based phenotypic screening together with in vivo assays and structure-activity relationship (SAR) studies finally led to the discovery of N-(3-((4-amino-1-(trans-4-hydroxycyclohexyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)ethynyl)-4-methylphenyl)-4-methyl-3-(trifluoromethyl)benzamide (13an). 13an is a multikinase inhibitor, which potently inhibited Src (IC50 = 0.003 μM), KDR (IC50 = 0.032 μM), and several kinases involved in the MAPK signal transduction. This compound showed potent anti-TNBC activities both in vitro and in vivo, and good pharmacokinetic properties and low toxicity. Mechanisms of action of anti-TNBC were also investigated. Collectively, the data obtained in this study indicate that 13an could be a promising drug candidate for the treatment of TNBC and hence merits further studies.

Tetrahydronaphthyridinyl-carboxamides having anti-convulsant activity

Compounds of formula (I) and pharmaceutically acceptable salts and solvates: where R1is hydrogen, C1-6alkyl (optionally substituted by hydroxy or C1-4alkoxy), phenyl-C1-4alkyl-, C1-6alkenyl, C1-6

Substituted isoquinoline derivatives and their use as anticonvulsivants

This invention relates to novel substituted isoquinoline derivatives and their use as anticonvulsants.

Anti-convulsant isoquinolyl-benzamide derivatives

Compounds of formula (I) and pharmaceutically acceptable salts thereof, where R1is hydrogen, C1-6alkyl (optionally substituted by hydroxy or C1-4alkoxy), C1-6alkenyl, C1-6alkynyl, C1-6alkylCO—, formyl, CF3CO— or C1-6alkylSO2—; R2is hydrogen or up to three substituents selected from halogen, NO2, CN, N3, CF3O—, CF3S—, CF3CO—, trifluoromethyldiazirinyl, C 1-6?alkyl, C1-6alkenyl, C1-6alkynyl, C1-6perfluoroalkyl, C3-6cycloalkyl, C3-6cycloalkyl-C1-4alkyl-, C1-6alkylO—, C1-6alkylCO—, C3-6cycloalkylO—, C3-6cycloalkylCO—, C3-6cycloalkyl-C1-4alkylO—, C3-6cycloalkyl-C1-4alkylCO—, phenyl, phenoxy, benzyloxy, benzoyl, phenyl-C1-4alkyl-, C1-6alkylS—, C1-6alkylSO2—, (C1-4alkyl)2NSO2—, (C1-4alkyl)NHSO2—, (C1-4alkyl)2NCO—, (C1-4alkyl)NHCO— or CONH2; or —NR5R6where R5is hydrogen or C1-4alkyl, and R6is hydrogen, C1-4alkyl, formyl, —CO2C1-4alkyl or —COC1-4alkyl; or two R2groups together form a carbocyclic ring that is saturated or unsaturated and unsubstituted or substituted by —OH or ═O; and the two R3groups and the two R4groups are each independently hydrogen or C1-6alkyl or the two R3groups and/or the two R4groups together form a C3-6spiroalkyl group provided that at least one R3and R4group is not hydrogen, are useful in the treatment and prophylaxis of epilepsy and other disorders.