912444-99-6

Basic information

• Product Name: 2-amino-5-fluoro-3-nitrobenzonitrile
• Synonyms: 2-amino-5-fluoro-3-nitrobenzonitrile
• CAS NO: 912444-99-6
• Molecular Weight: 181.126
• Mol File: 912444-99-6.mol
• Article Data: 5

Chemical Properties

• CAS DataBase Reference: 2-amino-5-fluoro-3-nitrobenzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 2-amino-5-fluoro-3-nitrobenzonitrile(912444-99-6)
• EPA Substance Registry System: 2-amino-5-fluoro-3-nitrobenzonitrile(912444-99-6)

Safety Data

• Hazardous Substances Data: 912444-99-6(Hazardous Substances Data)

Upstream product

• 10472-88-5 4-fluoro-2-bromo-6-nitroaniline 
• 557-21-1 dicyanozinc 

Downstream Products

• 912445-00-2 2,3-diamino-5-fluoro-benzonitrile 
• 936551-84-7 2-amino-5-fluoro-3-nitrobenzamide 

Relevant articles and documents

Discovery of 2-substituted 1H-benzo[d]immidazole-4-carboxamide derivatives as novel poly(ADP-ribose)polymerase-1 inhibitors with in?vivo anti-tumor activity

Novel 1H-benzo[d]immidazole-4-carboxamide derivatives bearing five-membered or six-membered N-heterocyclic moieties at the 2-position were designed and synthesized as PARP-1 inhibitors. Structure-activity relationships were conducted and led to a number of potent PARP-1 inhibitors having IC50 values in the single or double digit nanomolar level. Some potent PARP-1 inhibitors also had similar inhibitory activities against PARP-2. Among all the synthesized compounds, compound 10a and 11e displayed strong potentiation effects on temozolomide (TMZ) in MX-1?cells (PF50?=?7.10, PF50?=?4.17). In?vivo tumor growth inhibition was investigated using compound 10a in combination with TMZ, and it was demonstrated that compound 10a could strongly potentiate the cytotoxicity of TMZ in MX-1 xenograft tumor model. Two co-crystal structures of compounds 11b and 15e complexed with PARP-1 were achieved and demonstrated a unique binding mode of these benzo-imidazole derivatives.

SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS

The present invention relates to 1H-benzimidazole-4-carboxamides of formula (I), their preparation, and their use as inhibitors of the enzyme poly(ADP-ribose)polymerase for the preparation of drugs.

1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position are potent PARP inhibitors

Compounds of Formula (I) inhibit the PARP enzyme and are useful for treating a disease or a disorder associated with PARP. Also disclosed are pharmaceutical compositions comprising compounds of Formula (I), methods of treatment comprising compounds of For