1048025-60-0

Basic information

• Product Name: 4-fluoro-2-iodo-6-methyl-benzoic acid
• Synonyms: 4-fluoro-2-iodo-6-methyl-benzoic acid
• CAS NO: 1048025-60-0
• Molecular Weight: 280.037
• Mol File: 1048025-60-0.mol
• Article Data: 5

Chemical Properties

• CAS DataBase Reference: 4-fluoro-2-iodo-6-methyl-benzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 4-fluoro-2-iodo-6-methyl-benzoic acid(1048025-60-0)
• EPA Substance Registry System: 4-fluoro-2-iodo-6-methyl-benzoic acid(1048025-60-0)

Safety Data

• Hazardous Substances Data: 1048025-60-0(Hazardous Substances Data)

Upstream product

• 321-21-1 4-fluoro-2-methylbenzoic acid 

Downstream Products

• 1262417-58-2 2-[1-(4,4-dichlorocyclohexyl)piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide 
• 1262417-51-5 2-[1-(4,4-difluorocyclohexyl)-piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide 
• 1262418-04-1 2-[1-(4,4-difluorocyclohexyl)piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carbonitrile 
• 1262418-08-5 2-[1-(4,4-dichlorocyclohexyl)piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carbonitrile 
• 1262418-01-8 2-[1-(4,4-difluorocyclohexyl)piperidin-4-yl]-5-fluoro-7-iodo-2,3-dihydro-1H-isoindol-1-one 
• 877151-07-0 4-fluoro-2-iodo-6-methyl-benzoic acid methyl ester 
• 877151-43-4 2-cyano-4-fluoro-6-methylbenzoic acid methyl ester 

Relevant articles and documents

Discovery of 2-[1-(4,4-Difluorocyclohexyl)piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide (NMS-P118): A Potent, Orally Available, and Highly Selective PARP-1 Inhibitor for Cancer Therapy

The nuclear protein poly(ADP-ribose) polymerase-1 (PARP-1) has a well-established role in the signaling and repair of DNA and is a prominent target in oncology, as testified by the number of candidates in clinical testing that unselectively target both PARP-1 and its closest isoform PARP-2. The goal of our program was to find a PARP-1 selective inhibitor that would potentially mitigate toxicities arising from cross-inhibition of PARP-2. Thus, an HTS campaign on the proprietary Nerviano Medical Sciences (NMS) chemical collection, followed by SAR optimization, allowed us to discover 2-[1-(4,4-difluorocyclohexyl)piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide (NMS-P118, 20by). NMS-P118 proved to be a potent, orally available, and highly selective PARP-1 inhibitor endowed with excellent ADME and pharmacokinetic profiles and high efficacy in vivo both as a single agent and in combination with Temozolomide in MDA-MB-436 and Capan-1 xenograft models, respectively. Cocrystal structures of 20by with both PARP-1 and PARP-2 catalytic domain proteins allowed rationalization of the observed selectivity.

4-CARBOXAMIDO-ISOINDOLINONE DERIVATIVES AS SELECTIVE PARP-1 INHIBITORS

There are provided substituted 4-carboxamido-isoindolinone derivatives which selectively inhibit the activity of poly (ADP-ribose) polymerase PARP-1 with respect to poly (ADP-ribose) polymerase PARP-2. The compounds of this invention are therefore useful in treating diseases such as cancer, cardiovascular diseases, central nervous system injury and different forms of inflammation. The present invention also provides methods for preparing these compounds, pharmaceutical compositions comprising these compounds, and methods of treating diseases utilizing pharmaceutical compositions comprising these compounds

PdII-catalyzed monoselective ortho halogenation of C-H bonds assisted by counter cations: A complementary method to directed ortho lithiation

(Chemical Equation Presented) When the counterion counts: The yield and selectivity of the title transformation of benzoic acid derivatives were improved greatly by using tetraalkyl ammonium salts as additives (see scheme; monoselectivity: 5:1-18:1). These effects are attributed to the influence of counter cations. The halogenated products are versatile intermediates for the construction of substituted aromatic compounds. DMF=N,N-dimethylformamide.