1017898-53-1

Basic information

• Product Name: (2E)-3-(3-nitrophenyl)-1-(2',4',6'-trimethoxyphenyl)-2-propen-1-one
• Synonyms: (2E)-3-(3-nitrophenyl)-1-(2',4',6'-trimethoxyphenyl)-2-propen-1-one
• CAS NO: 1017898-53-1
• Molecular Weight: 343.336
• Mol File: 1017898-53-1.mol
• Article Data: 6

Chemical Properties

• CAS DataBase Reference: (2E)-3-(3-nitrophenyl)-1-(2',4',6'-trimethoxyphenyl)-2-propen-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: (2E)-3-(3-nitrophenyl)-1-(2',4',6'-trimethoxyphenyl)-2-propen-1-one(1017898-53-1)
• EPA Substance Registry System: (2E)-3-(3-nitrophenyl)-1-(2',4',6'-trimethoxyphenyl)-2-propen-1-one(1017898-53-1)

Safety Data

• Hazardous Substances Data: 1017898-53-1(Hazardous Substances Data)

Upstream product

• 480-66-0 2,4,6-trihydroxyacetophenone 
• 108-73-6 3,5-dihydroxyphenol 
• 90-24-4 2-hydroxy-4,6-dimethoxyacetophenone 
• 99-61-6 3-nitro-benzaldehyde 
• 832-58-6 1-(2,4,6-trimethoxyphenyl)ethanone 

Relevant articles and documents

Conformational mobility of substituted 2-methoxychalcones under the action of lanthanide shift reagents

Various lanthanide shift reagents Ln(fod)3 were found to affect the conformational composition of 2-methoxychalcones. Coordination of Yb(fod)3 occurs mainly at the carbonyl oxygen atom of the substrate, while Eu(fod)3 and

Trimethoxy-chalcone derivatives inhibit growth of Leishmania braziliensis: Synthesis, biological evaluation, molecular modeling and structure-activity relationship (SAR)

In this work we described the synthesis, the antileishmanial activity and the molecular modeling and structure-activity relationship (SAR) evaluations of a series of chalcone derivatives. Among these compounds, the methoxychalcones 2h, 2i, 2j, 2k and 2l showed significant antileishmanial activity (IC 50 50 = 2.7 μM), 2j (IC50 = 3.9 μM) and 2k (IC50 = 4.6 μM) derivatives presented better antileishmanial activity than the control drug pentamidine (IC50 = 6.0 μM). Our SAR study showed the importance of methoxy di-ortho substitution at phenyl ring A and the relationship between the frontier orbital HOMO coefficients distribution of these molecules and their activity. The most active compounds 2h, 2i, 2j, 2k, and 2l fulfilled the Lipinski rule-of-five which theoretically is important for good drug absorption and permeation through biological membranes. The potential profile of 2j (IC 50 = 3.9 μM and CC50 = 216 μM) pointed this chalcone derivative as a hit compound to be further explored in antileishmanial drug design.

Synthetic chalcones as efficient inhibitors of Mycobacterium tuberculosis protein tyrosine phosphatase PtpA

In the search for lead compounds for new drugs for tuberculosis, the activity of 38 synthetic chalcones were assayed for their potential inhibitory action towards a protein tyrosine phosphatase from Mycobacterium tuberculosis - PtpA. The compounds were ob