701213-60-7

Basic information

• Product Name: 1-(4-benzoylpiperazin-1-yl)-2-(7-(4-fluoro-1H-pyrazol-1-yl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
• Synonyms: 1-(4-benzoylpiperazin-1-yl)-2-(7-(4-fluoro-1H-pyrazol-1-yl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
• CAS NO: 701213-60-7
• Molecular Weight: 476.467
• Mol File: 701213-60-7.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 1-(4-benzoylpiperazin-1-yl)-2-(7-(4-fluoro-1H-pyrazol-1-yl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(4-benzoylpiperazin-1-yl)-2-(7-(4-fluoro-1H-pyrazol-1-yl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione(701213-60-7)
• EPA Substance Registry System: 1-(4-benzoylpiperazin-1-yl)-2-(7-(4-fluoro-1H-pyrazol-1-yl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione(701213-60-7)

Safety Data

• Hazardous Substances Data: 701213-60-7(Hazardous Substances Data)

Upstream product

• 446284-68-0 methyl 2-(7-chloro-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetate 
• 446284-32-8 7-chloro-4-methoxy-1H-pyrrolo[2,3-c]pyridine 
• 425380-38-7 4-bromo-7-chloro-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine 
• 67443-38-3 5-bromo-2-chloro-3-nitropyridine 
• 446284-78-2 potassium 2-(7-chloro-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetate 
• 446285-02-5 1-(4-benzoylpiperazin-1-yl)-2-(7-chloro-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione 
• 35277-02-2 4-fluoro-1H-pyrazole 

Relevant articles and documents

Discovery of the Human Immunodeficiency Virus Type 1 (HIV-1) Attachment Inhibitor Temsavir and Its Phosphonooxymethyl Prodrug Fostemsavir

The optimization of the 4-methoxy-6-azaindole series of HIV-1 attachment inhibitors (AIs) that originated with 1 to deliver temsavir (3, BMS-626529) is described. The most beneficial increases in potency and pharmacokinetic (PK) properties were attained by incorporating N-linked, sp2-hybridized heteroaryl rings at the 7-position of the heterocyclic nucleus. Compounds that adhered to a coplanarity model afforded targeted antiviral potency, leading to the identification of 3 with characteristics that provided for targeted exposure and PK properties in three preclinical species. However, the physical properties of 3 limited plasma exposure at higher doses, both in preclinical studies and in clinical trials as the result of dissolution- and/or solubility-limited absorption, a deficiency addressed by the preparation of the phosphonooxymethyl prodrug 4 (BMS-663068, fostemsavir). An extended-release formulation of 4 is currently in phase III clinical trials where it has shown promise as part of a drug combination therapy in highly treatment-experienced HIV-1 infected patients.