34004-41-6

Upstream product

• 79-04-9 chloroacetyl chloride 
• 121-87-9 2-Chloro-4-nitroaniline 
• 4015-58-1 monochloroacetic acid anhydride 

Downstream Products

• 21507-86-8 3-Hydroxy-benzo[b]thiophene-2-carboxylic acid (2-chloro-4-nitro-phenyl)-amide 
• 1253933-71-9 2-{2-[(2,6-dichlorophenyl)amino]phenylmethyl}-3-{4-[(2-chloro-4-nitrophenyl)amino]oxazol-2-yl}-6-bromoquinazolin-4(3H)-on 
• 1383787-12-9 C₂₃H₂₀ClN₅O₃S 
• 1383786-92-2 C₂₃H₂₀ClN₅O₃S 
• 1325210-51-2 2-[2(2,6-dichlorophenyl)amino]phenylmethyl-3-(4-[(2-chloro,4-nitrophenyl)amino]-1,3-oxazol-2-yl)-7-chloroquinazolin-4(3H)-one 
• 1454833-85-2 4-[3-chloro-4-(2-dipropylaminoacetylamino)anilino]-6-aminoquinazoline 
• 1454806-14-4 4-[3-chloro-4-(2-diethylaminoacetamido)anilino]-6-aminoquinazoline 
• 1454833-83-0 4-(3-chloro-4-(2-(dipropylamino)acetamido)anilino)-6-isobutyramidoquinazoline 
• 1454833-82-9 4-[3-chloro-4-(2-dipropylaminoacetylamino)anilino]-6-propanoylaminoquinazoline 
• 1454833-81-8 4-[3-chloro-4-(2-dipropylaminoacetylamino)anilino]-6-isobutoxycarboxamidoquinazoline 
• 1454806-12-2 4-[3-chloro-4-(2-diethylaminoacetamido)anilino]-6-cyclohexylmethyloxycarbonylaminoquinazoline 
• 1454806-11-1 4-[3-chloro-4-(2-diethylaminoacetamido)anilino]-6-isobutyloxycarbonylaminoquinazoline 

Relevant academic research and scientific papers

Synthesis, pharmacological evaluation, and in-silico studies of thiophene derivatives

The relevance of Retinoic acid receptor-related orphan receptors in cancer progression has sparked interest in developing multifunctional therapeutics. In the search for potentially active novel compounds with anticancer characteristics, the Gewald reaction was employed to develop different thiophene derivatives (8a–8i). Physicochemical and spectroanalytical investigations verified the molecular structures of the synthesized derivatives. Using an in vitro primary anticancer assay, NCI chose all of the synthesized molecules as prototypes and assessed their anticancer efficacy against a panel of various cancer cell lines representing nine distinct neoplasms. The compounds were found to have a wide range of anticancer activity. Following significant anticancer efficacy against all cell lines in the initial screening, compound 8e was chosen for a five-dose test. Compound 8e inhibited growth at concentrations ranging from 0.411 to 2.8 μM. The antioxidant activity of the compounds was further evaluated using the radical scavenging action of the stable DPPH free radical. In comparison to Ascorbic Acid, compounds 8e and 8i showed outstanding antioxidant activity, while the remaining compounds in the series demonstrated acceptable antioxidant activity. In a molecular docking investigation, 8e demonstrated excellent docking scores inside the binding pocket of the specified pdb-id (6q7a), complementing the results of anticancer screening. Based on our results, novel ethyl 5-acetyl-2-amino-4-methylthiophene-3-carboxylate derivatives could be useful in the development of potential anticancer treatments.

Synthesis and antimicrobial evaluations of sulfur inserted fluoro-benzimidazoles

A new series of fluorinated sulfur inserted benzimidazole analogues Za-i were synthesized and characterized. The new compounds were screened for their antimicrobial and antioxidant potential. The synthesized compounds were obtained by multiple step synthesis, initiating from the synthesis of 5-(difluoromethoxy)-1H-benzimidazole-2-thiol X. The compounds Ya-i prepared by reacting differently substituted anilines with chloroacetylchloride and triethylamine in DMF. Finally, the compound X was reacted with different derivatives of 2-chloro-N-phenylacetamide resulting in formation of titled compounds Za-i. The synthesized compounds (Za-Zi) were characterized by spectral analysis viz.1H & 13C NMR, mass spectra, elemental analysis and IR. The in vitro antimicrobial potential against Gram-positive (S. aureus and E. faecalis) and Gram-negative bacterial (E. coli and P.aeruginosa) strains as well as fungi (A. niger and C. albicans) was recorded for the obtained compounds. Some of the compounds exhibited encouraging results (in MIC) against Gram-positive and Gram-negative bacterial strains. These studies thus suggest that the designed sulfur inserted fluoro-benzimidazoles scaffold may serve as new promising template for further amplification as antimicrobial agents.

Ligand-based design, synthesis and biological evaluation of xanthine derivatives as LSD1/KDM1A inhibitors

Histone lysine specific demethylase 1 (LSD1) has been recognized as an important epigenetic target for disease treatment. To date, a large number of LSD1 inhibitors have been developed, some of which are currently being evaluated in clinical trials for th

Halogen-substituted triazolethioacetamides as a potent skeleton for the development of metallo-β-lactamase inhibitors

Metallo-β-lactamases (MβLs) are the target enzymes of β-lactam antibiotic resistance, and there are no effective inhibitors against MβLs available for clinic so far. In this study, thirteen halogen-substituted triazolethioacetamides were designed and synthesized as a potent skeleton of MβLs inhibitors. All the compounds displayed inhibitory activity against ImiS with an IC50 value range of 0.032–15.64 μM except 7. The chlorine substituted compounds (1, 2 and 3) inhibited NDM-1 with an IC50 value of less than 0.96 μM, and the fluorine substituted 12 and 13 inhibited VIM-2 with IC50 values of 38.9 and 2.8 μM, respectively. However, none of the triazolethioacetamides exhibited activity against L1 at inhibitor concentrations of up to 1 mM. Enzyme inhibition kinetics revealed that 9 and 13 are mixed inhibitors for ImiS with Ki values of 0.074 and 0.27μM using imipenem as the substrate. Docking studies showed that 1 and 9, which have the highest inhibitory activity against ImiS, fit the binding site of CphA as a replacement of ImiS via stable interactions between the triazole group bridging ASP120 and hydroxyl group bridging ASN233.

4 - [3-chloro-4-substituted anilino] - 6-substituted Carbamoyl aminoquin oxazolines and its preparation and use

The invention discloses 4-(3-chloro-4-substituted anilino)-6-substituted carbamonyl quinazoline compounds, and a preparation method and applications thereof. Each of the compounds has the following structure of general formula (I), wherein R is isobutoxyl

4 - [3-chloro-4-substituted anilino] - 6-substituted methoxy Carbamoyl aminoquin oxazolines and its preparation and use

The invention discloses 4-(3-chloro-4-substituted anilino)-6-substituted methoxylcarbamonylquinazoline compounds, and a preparation method and applications thereof. Each of the compounds has the following structure of general formula (I), wherein R is iso

New thiazolidinyl analogs containing pyridine ring: Synthesis, biological evaluation and QSAR studies

A series of pyridine derivatives of thiazolidin-4-ones (4a-4o) has been synthesized. Structures of these compounds were established on the basis of elemental analysis, IR, 1H NMR, 13C NMR, and Mass spectral data. All the synthesized compounds have been evaluated for their anti-inflammatory and analgesic effects. The results showed that compound 2-[4-methylphenylimino]-5-(1H-pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one (4d), 2-(2,4-dinitro-phenylhydrazinylidine)-5-(1H-pyridin-2-yl-methylidene)-1,3- thiazolidin-4-one (4h), and 2-[3-nitro-phenylimino]-5-(1H-pyridin-2-yl- methylidene)-1,3-thiazolidin-4-one (4j) exhibited good anti-inflammatory and analgesic activity. Compound 4h was found to be the most active compound of the series with an interesting dual anti-inflammatory and analgesic activity. Docking simulation was performed to position synthesized compounds into the active site of COX-2. The relationships of energy-based docking score with analgesic and anti-inflammatory activities were also investigated by linear regression method. The QSAR models with R 2 of 0.621 and 0.740 were developed for analgesic and anti-inflammatory activities, respectively.

Acetamide and substituted acetamide-containing thiourea inhibitors of herpes viruses

Compounds of the formula: are useful in the treatment of diseases associated with herpes viruses including human cytomegalovirus, herpes simplex viruses, Epstein-Barr virus, varicella-zoster virus, human herpesviruses-6 and -7, and Kaposi herpesvirus.