22474-47-1

Usage

Uses

Due to the limited information available on (2-Methyl-5-Nitrophenyl)methanol, its applications are not well-defined. However, based on its chemical structure and the functional groups present, it can be inferred that (2-METHYL-5-NITROPHENYL)METHANOL may have potential uses in various industries, such as:
Used in Chemical Synthesis Industry:
(2-Methyl-5-Nitrophenyl)methanol could be used as a chemical intermediate for the synthesis of more complex organic compounds, given its reactivity and the presence of a nitro group and a hydroxyl group.
Used in Research and Development:
(2-Methyl-5-Nitrophenyl)methanol may serve as a research compound for studying its properties, reactivity, and potential applications in various fields, such as materials science, pharmaceuticals, or environmental chemistry.

InChI:InChI=1/C8H9NO3/c1-6-2-3-8(9(11)12)4-7(6)5-10/h2-4,10H,5H2,1H3

Upstream product

• 58966-24-8 2-(chloromethyl)-4-nitrotoluene 
• 127-09-3 sodium acetate 
• 22364-41-6 5-Nitro-4-amino-2-methyl-benzylalkohol 
• 99-99-0 1-methyl-4-nitrobenzene 
• 77324-87-9 methyl 2-methyl-5-nitrobenzoate 
• 124358-24-3 ethyl 2-methyl-5-nitrobenzoate 
• 16634-91-6 2-methyl-5-nitro-benzaldehyde 
• 22364-40-5 5-Nitro-4-acetamino-2-methyl-benzylalkohol 
• 22364-38-1 5-Nitro-4-acetamino-2-methyl-benzylbromid 
• 6970-77-0 N-(4,5-dimethyl-2-nitrophenyl)acetamide 
• 1975-52-6 5-nitro-o-toluic acid 

Downstream Products

• 1606169-48-5 diethyl (2-methyl-5-nitrobenzyl)phosphonate 
• 1606169-58-7 ethyl ethyl(2-methyl-5-nitrobenzyl)phosphinate 
• 1606168-49-3 diethyl (5-amino-2-methylbenzyl)phosphonate 
• 1606168-71-1 diethyl (5-{[6-(2-methoxyphenyl)pyrimidin-4-yl]amino}-2-methylbenzyl)phosphonate 
• 1606168-83-5 ethyl (5-amino-2-methylbenzyl)ethylphosphinate 
• 1606168-99-3 ethyl ethyl(5-{[6-(2-methoxyphenyl)pyrimidin-4-yl]amino}-2-methylbenzyl)phosphinate 
• 1606169-00-9 ethyl ethyl(2-methyl-5-{[6-(3-nitrophenyl)pyrimidin-4-yl]amino}benzyl)phosphinate 
• 1606169-01-0 ethyl (5-{[6-(3-aminophenyl)pyrimidin-4-yl]amino}-2-methylbenzyl)ethylphosphinate 
• 58966-24-8 2-(chloromethyl)-4-nitrotoluene 
• 850450-21-4 N-(4-methyl-3-{1-methyl-7-[3-(4-methyl-piperazin-1-y)-phenylamino]-2-oxo-1,2-dihydro-[1,6]naphthyridin-3-yl}-phenyl)-3-trifluoromethyl-benzamide 
• 850450-20-3 N-{3-[7-(3-dimethylaminomethyl-phenylamino)-1-methyl-2-oxo-1,2-dihydro-[1,6]naphthyridin-3-yl]-4-methyl-phenyl}-3-trifluoromethyl-benzamide 
• 850450-17-8 N-{3-[7-(6-methoxy-pyridin-3-ylamino)-1-methyl-2-oxo-1,2-dihydro-[1,6]naphthyridin-3-yl]-4-methyl-phenyl}-3-trifluoromethyl-benzamide 
• 850451-23-9 N-[3-(7-benzylamino-1-methyl-2-oxo-1,2-dihydro-[1,6]naphthyridin-3-yl)-4-methyl-phenyl]-3-trifluoromethyl-benzamide 
• 850450-18-9 N-[3-(7-ethylamino-1-methyl-2-oxo-1,2-dihydro-[1,6]naphthyridin-3-yl)-4-methyl-phenyl]3-trifluoromethyl-benzamide 

Relevant academic research and scientific papers

ISOINDOLINONE COMPOUNDS

Disclosed herein is a compound or pharmaceutically acceptable salts or stereoisomers thereof of of formula I wherein X1 is linear or branched C1-6 alkyl, C3-6 cycloalkyl, -C1-6 alkyl C3-6 cycloalkyl, C6-10 aryl, 5-10 membered heteroaryl, C1-6 alkyl C6-10 aryl, C1-6 alkyl 5-10 membered heteroaryl, wherein X1 is unsubstituted or substituted with one or more of halogen, linear or branched C1-6 alkyl, linear or branched C1-6 heteroalkyl, CF3, CHF2, -O-CHF2, -O-(CH2)2-OMe, OCF3, C1-6 alkylamino, -CN, -N(H)C(O)-C1- 6alkyl, -OC(O)-C1-6alkyl, -OC(O)-C1-4alkylamino, -C(O)O-C1-6alkyl, -COOH, - CHO, -C1-6alkylC(O)OH, -C1-6alkylC(O)O-C1-6alkyl, NH2, C1-6 alkoxy or C1-6 alkylhydroxy; X2 is hydrogen, C6-10 aryl, 5-10 membered heteroaryl, -O-(5-10 membered heteroaryl), 4-8 membered heterocycloalkyl, C1-4 alkyl 4-8 membered heterocycloalkyl, -O-(4-8 membered heterocycloalkyl), -O-C1-4 alkyl-(4-8 membered heterocycloalkyl), -OC(O)-C1-4alkyl-4-8 membered heterocycloalkyl or C6 aryloxy, wherein X2 is unsubstituted or substituted with one or more of linear or branched C1-6 alkyl, NH2, NMe2 or 5-6 membered heterocycloalkyl; n is 0, 1 or 2.

(PYRIDIN-2-YL)AMINE DERIVATIVES AS TGF-BETA R1 (ALK5) INHIBITORS FOR THE TREATMENT OF CANCER

The present invention relates to pharmaceutical compounds, compositions and methods, especially as they are related to compositions and methods for the treatment and/or prevention of a proliferation disorder associated with ΤGFβR1 activity, such as a cancer or fibrosis. The invention provides compounds of Formula (I) and Formula (II) as further described herein having an acidic moiety that enhances tissue specificity for targeted tissues and organs. The invention includes pharmaceutical compositions, pharmaceutical combinations, and methods of use of these compounds for treating conditions including cancer or fibrosis.

BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF

β-Substituted β-amino acids, β-substituted β-amino acid derivatives, and β-substituted β-amino acid analogs and (bio)isosteres and their use as chemotherapeutic agents are disclosed. The β-substituted β-amino acid derivatives and β-substituted β-amino acid analogs and (bio)isosteres are selective LAT1/4F2hc substrates and exhibit rapid uptake and retention in tumors expressing the LAT1/4F2hc transporter. Methods of synthesizing the β-substituted β-amino acid derivatives and β-substituted β-amino acid analogs and methods of using the compounds for treating cancer are also disclosed. The β-substituted β-amino acid derivatives and β-substituted β-amino acid analogs exhibit selective uptake in tumor cells expressing the LAT1/4F2hc transporter and accumulate in cancerous cells when administered to a subject in vivo. The β-substituted β-amino acid derivatives and β-substituted β-amino acid analogs and (bio)isosteres exhibit cytotoxicity toward several tumor types.

THERAPEUTIC COMPOUNDS

The invention provides compounds of formula (I): wherein, A, C, D, X, and Y have any of the values defined in the specification, and salts thereof. The compounds are SIRT2 inhibitors and are useful for treating SIRT2 associated conditions.

BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS

β-Substituted β-amino acids, β-substituted β-amino acid derivatives, and β-substituted β-amino acid analogs and (bio)isosteres and their use as chemotherapeutic agents are disclosed. The β-substituted β-amino acid derivatives and β-substituted β-amino acid analogs and (bio)isosteres are selective LAT1/4F2hc substrates and exhibit rapid uptake and retention in tumors expressing the LAT1/4F2hc transporter. Methods of synthesizing the β-substituted β-amino acid derivatives and β-substituted β-amino acid analogs and methods of using the compounds for treating cancer are also disclosed. The β-substituted β-amino acid derivatives and β-substituted β-amino acid analogs exhibit selective uptake in tumor cells expressing the LAT1/4F2hc transporter and accumulate in cancerous cells when administered to a subject in vivo. The β-substituted β-amino acid derivatives and β-substituted β-amino acid analogs and (bio)isosteres exhibit cytotoxicity toward several tumor types.

Synthesis and evaluation of phosphorus containing, specific CDK9/CycT1 inhibitors

Although there is a significant effort in the design of a selective CDK9/CycT1 inhibitor, no compound has been proven to be a specific inhibitor of this kinase so far. The aim of this research was to develop novel and selective phosphorus containing CDK9/CycT1 inhibitors. Molecules bearing phosphonamidate, phosphonate, and phosphinate moieties were synthesized. Prepared compounds were evaluated in an enzymatic CDK9/CycT1 assay. The most potent molecules were tested in cell-based toxicity and HIV proliferation assays. Selectivity of shortlisted compounds against CDKs and other kinases was tested. The best compound was shown to be a highly specific, ATP-competitive inhibitor of CDK9/CycT1 with antiviral activity.

New hits as antagonists of GPR103 identified by HTS

Preclinical data indicate that GPR103 receptor and its endogenous neuropeptides QRFP26 and QRFP43 are involved in appetite regulation. A high throughput screening (HTS) for small molecule GPR103 antagonists was performed with the clinical goal to target weight management by modulation of appetite. A high hit rate from the HTS and initial low confirmation with respect to functional versus affinity data challenged us to revise the established screening cascade. To secure high quality data while increasing throughput, the binding assay was optimized on quality to run at single concentration. This strategy enabled evaluation of a larger fraction of chemical clusters and singletons delivering 17 new compound classes for GPR103 antagonism. Representative compounds from three clusters are presented. One of the identified clusters was further investigated, and an initial structure-activity relationship study is reported. The most potent compound identified had a pIC50 of 7.9 with an improved ligand lipophilic efficiency.

Thermally robust Au99(SPh)42 nanoclusters for chemoselective hydrogenation of nitrobenzaldehyde derivatives in water

We report the synthesis and catalytic application of thermally robust gold nanoclusters formulated as Au99(SPh)42. The formula was determined by electrospray ionization and matrix-assisted laser desorption ionization mass spectrometry in conjunction with thermogravimetric analysis. The optical spectrum of Au99(SPh)42 nanoclusters shows absorption peaks at ～920 nm (1.35 eV), 730 nm (1.70 eV), 600 nm (2.07 eV), 490 nm (2.53 eV), and 400 nm (3.1 eV) in contrast to conventional gold nanoparticles, which exhibit a plasmon resonance band at 520 nm (for spherical particles). The ceria-supported Au99(SPh)42 nanoclusters were utilized as a catalyst for chemoselective hydrogenation of nitrobenzaldehyde to nitrobenzyl alcohol in water using H2 gas as the hydrogen source. The selective hydrogenation of the aldehyde group catalyzed by nanoclusters is a surprise because conventional nanogold catalysts instead give rise to the product resulting from reduction of the nitro group. The Au 99(SPh)42/CeO2 catalyst gives high catalytic activity for a range of nitrobenzaldehyde derivatives and also shows excellent recyclability due to its thermal robustness. We further tested the size-dependent catalytic performance of Au25(SPh)18 and Au36(SPh)24 nanoclusters, and on the basis of their crystal structures we propose a molecular adsorption site for nitrobenzaldehyde. The nanocluster material is expected to find wide application in catalytic reactions.

N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS

The present invention relates to amide compounds, processes for their preparation, pharmaceutical compositions containing these compounds and to their use in the treatment of disorders, conditions or disorders such as allergic disorders, inflammatory disorders and disorders of the immune system.

Discovery of N-(3-(morpholinomethyl)-phenyl)-amides as potent and selective CB2 agonists

Recently sulfamoyl benzamides were identified as a novel series of cannabinoid receptor ligands. Replacing the sulfonamide functionality and reversing the original carboxamide bond led to the discovery of N-(3-(morpholinomethyl)-phenyl)-amides as potent and selective CB2 agonists. Selective CB2 agonist 31 (Ki = 2.7; CB1/CB2 = 190) displayed robust activity in a rodent model of postoperative pain.