449774-77-0

Upstream product

• 326-67-0 N-(2-fluoro-4-methylphenyl)acetamide 
• 1445215-02-0 2,2,2-trifluoro-N-(2-fluoro-4-methylphenyl)acetamide 
• 452-80-2 2-fluoro-4-methylaniline 

Downstream Products

• 1510828-71-3 1-fluoro-2-iodo-5-methyl-3-nitrobenzene 
• 449774-82-7 (2R,3S,5R)-2-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-(4-fluoro-6-methyl-benzoimidazol-1-yl)-tetrahydro-furan-3-ol 
• 449774-80-5 C₂₉H₂₇FN₂O₅ 
• 449774-78-1 4-fluoro-6-methyl-1H-benzimidazole 
• 168966-55-0 1-fluoro-5-methyl-2,3-diaminobenzene 

Relevant academic research and scientific papers

Structure-activity relationship (SAR) optimization of 6-(Indol-2-yl) pyridine-3-sulfonamides: Identification of potent, selective, and orally bioavailable small molecules targeting hepatitis C (HCV) NS4B

A novel, potent, and orally bioavailable inhibitor of hepatitis C RNA replication targeting NS4B, compound 4t (PTC725), has been identified through chemical optimization of the 6-(indol-2-yl)pyridine-3-sulfonamide 2 to improve DMPK and safety properties.

Octahydropyrrolo[3,4-C]pyrrole derivatives

The present invention relates to octahydropyrrolo[3,4-c]pyrrole derivatives of formula (I): and to processes for the preparation thereof, compositions containing the same and the uses thereof.

A highly effective nonpolar isostere of deoxyguanosine: synthesis, structure, stacking, and base pairing.

We describe the preparation and structure of the deoxyribonucleoside of 4-fluoro-6-methylbenzimidazole, abbreviated dH (8), which acts as a close shape mimic of the nucleoside deoxyguanosine. The nucleoside is prepared from 2-fluoro-4-methylaniline in seven steps. The X-ray crystal structure reveals a (-sc) glycosidic orientation, an S conformation for the deoxyribose moiety, and quite close shape mimicry of guanine by the substituted benzimidazole. Conformational studies by (1)H NMR and (1)H-(1)H ROESY experiments reveal an S-type conformation and an anti glycosidic orientation in solution (D(2)O), essentially the same as that of deoxyguanosine. Base-stacking studies in a "dangling end" context reveal that the benzimidazole base mimic stacks more strongly than all four natural bases, and more strongly than its counterpart guanine by 1.1 kcal/mol. Base-pairing studies in a 12mer DNA duplex show that, like other nonpolar nucleoside isosteres, H is destabilizing and nonselective when paired opposite natural bases. However, when paired opposite another nonpolar isostere, difluorotoluene (F), a mimic of thymine, the pair exhibits stability approaching that of its natural analogue, a G-T (wobble) base pair. The nucleoside analogue dH will be useful in studies of protein-DNA interactions, and the H-F base pair will serve as a structurally and thermodynamically close mimic of G-T in studies of DNA mismatch repair enzymes.