13471-68-6

Usage

Uses

Used in Organic Synthesis:
2-METHYL-5-NITROPHENYL ISOCYANATE is used as a building block for the synthesis of various organic compounds. Its reactive isocyanate group allows it to participate in a wide range of chemical reactions, such as nucleophilic addition, substitution, and rearrangement reactions, leading to the formation of diverse molecular structures.
Used in Pharmaceutical Industry:
2-METHYL-5-NITROPHENYL ISOCYANATE is used as a pharmaceutical intermediate for the development of new drugs. Its unique chemical structure makes it a valuable starting material for the synthesis of various pharmaceutical compounds, including those with potential therapeutic applications in treating diseases and medical conditions.

InChI:InChI=1/C8H6N2O3/c1-6-2-3-7(10(12)13)4-8(6)9-5-11/h2-4H,1H3

Upstream product

• 75-44-5 phosgene 
• 99-55-8 2-methyl-5-nitroaniline 
• 201230-82-2 carbon monoxide 
• 121-14-2 2,4-dinitrotoluene 
• 32315-10-9 bis(trichloromethyl) carbonate 

Downstream Products

• 16648-52-5 ethyl (2-methyl-5-nitrophenyl)carbamate 
• 23122-45-4 (2-Methyl-5-nitro-phenyl)-carbamic acid 3-methoxycarbonylamino-phenyl ester 
• 390824-53-0 N-[(5-nitro-2-methylphenyl)carbamoyl]valine 
• 903587-54-2 [4-(2-diethylamino-ethoxy)-phenyl]-{6-[1-methyl-3-(2-methyl-5-nitro-phenyl)-ureido]-pyrimidin-4-yl}-carbamic acid tert-butyl ester 
• 390824-60-9 N-[(5-amino-2-methylphenyl)carbamoyl]valine 
• 892119-28-7 N-(pyridine-4-carbonyl)-hydrazinecarboxylic acid 2-methyl-5-nitro-phenyl amide 
• 1119859-64-1 3-amino-N-(2-methyl-5-nitrophenyl)-1H-indazole-1-carboxamide 
• 349119-30-8 N-(2-methyl-5-nitrophenyl)morpholine-4-carboxamide 
• 1172621-15-6 1-isopropyl-3-(2-methyl-5-nitrophenyl)urea 
• 1309831-41-1 1-(2-Methyl-5-nitrophenyl)-1H-tetrazol-5(4H)-one 
• 1309831-42-2 1-(2-Methyl-5-nitrophenyl)-4-methyl-1H-tetrazol-5(4H)-one 
• 1309831-43-3 1-(5-Amino-2-methylphenyl)-4-methyl-1H-tetrazol-5(4H)-one 
• 61962-71-8 carbamic acid, (5-amino-2-methyphenyl)-, ethyl ester 

Relevant academic research and scientific papers

Catalysis by palladium salts XIII. The reductive carbonylation of nitroaromatic compounds to isocyanates with PdII and Pd0 complexes as homogeneous catalysts

A study has been made of the reductive carbonylation of 2,4-dinitrotoluene (2,4-DNT) to 2,4-diisocyanotoluene (2,4-TDI) with catalysis either by , in the presence of FeO3 and MoO3 or of Fe(MoO4)3 as cocatalysts, or by Pd0 complexes without cocatalysts.In the case of catalytic systems based upon the reaction can be carried out at about 200 deg C and under 200 atm of CO to produce 2,4-TDI with high conversions and acceptable selectivities.With Pd0 complexes as catalysts good conversions can be achieved at much lower temperatures (100-120 deg C) but with a low selectivity when a higher pressure of CO is used (300 atm or more).An investigation of the reductive cabonylation of nitrobenzene to phenylisocyanate as a model system, together with a study of the thermal stability of in the presence of CO, has provided evidence that the actual active catalyst could be a reduced (probably zerovalent) form of palladium stabilised by the nitroaromatic substrate or by some of the products formed from it as ligands.

Synthesis and in vitro anti-bladder cancer activity evaluation of quinazolinyl-arylurea derivatives

Based on the structural modification of molecular-targeted agent sorafenib, a series of quinazolinyl-arylurea derivatives were synthesized and evaluated for their anti-proliferative activities against six human cancer cell lines. Compared with other cell lines tested, T24 was more sensitive to most compounds. Compound 7j exhibited the best profile with lower IC50 value and favorable selectivity. In this study, we focused on 7j-induced death forms of T24 cells and tried to elucidate the reason for its potent proliferative inhibitory activity. Compound 7j treatment could trigger three different cell death forms including apoptosis, ferroptosis, and autophagy; which form would occur depended on the concentrations and incubation time of 7j: (1) Lower concentrations within the initial 8 h of 7j treatment led to apoptosis-dependent death. (2) Ferroptosis and autophagy occurred in the case of higher concentrations combining with extended incubation time through effectively regulating the Sxc?/GPx4/ROS and PI3K/Akt/mTOR/ULK1 pathways, respectively. (3) The above death forms were closely associated with intracellular ROS generation and decreased mitochondrial membrane potential induced by 7j. In molecular docking and structure-activity relationship analyses, 7j could bind well to the active site of the corresponding receptor glutathione peroxidase 4 (GPx4). Compound 7j could be a promising lead for molecular-targeted anti-bladder cancer agents’ discovery.

MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE

Provided herein are maytansinoid compounds, derivatives thereof, conjugates thereof, and methods of treating or preventing proliferative diseases with the same.

With anti-tumor effect of a quinazoline-urea derivative and its application (by machine translation)

The present invention relates to a of the general formula (II) anti-tumor function of said quinazoline-urea derivative and its application. The definition of the substituent in the general formula (II) in the specification. This invention, in order to SUO draw non-Buddhist nun and Geftinat compounds as the precursor, retention of SUO draw non-Buddhist nun the pharmocology-carbamido; at the same time, such as in reserved [...] EGFR-TKIs Geftinat, synthesis, and obtain a series of quinazoline-urea derivatives, by the in vitro activity tests, some compounds exhibit excellent anti-tumor activity, such derivatives have high research and utility value. (II). (by machine translation)

Development of N-4,6-pyrimidine-N-alkyl-N′-phenyl ureas as orally active inhibitors of lymphocyte specific tyrosine kinase

A new class of lymphocyte specific tyrosine kinase (lck) inhibitors based on an N-4,6-pyrimidine-N-alkyl-N′-phenyl urea scaffold is described. Many of these compounds showed low-nanomolar inhibition of lck kinase activity as well as IL-2 synthesis from Ju