115577-35-0

Basic information

• Product Name: Benzenemethanol, 4-fluoro-3-nitro-, methanesulfonate (ester)
• CAS NO: 115577-35-0
• Molecular Formula: C8H8FNO5S
• Molecular Weight: 249.22
• Mol File: 115577-35-0.mol
• Article Data: 10

Chemical Properties

• CAS DataBase Reference: Benzenemethanol, 4-fluoro-3-nitro-, methanesulfonate (ester)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenemethanol, 4-fluoro-3-nitro-, methanesulfonate (ester)(115577-35-0)
• EPA Substance Registry System: Benzenemethanol, 4-fluoro-3-nitro-, methanesulfonate (ester)(115577-35-0)

Safety Data

• Hazardous Substances Data: 115577-35-0(Hazardous Substances Data)

Upstream product

• 60-29-7 diethyl ether 
• 20274-69-5 (4-fluoro-3-nitrophenyl)methanol 
• 124-63-0 methanesulfonyl chloride 
• 121-44-8 triethylamine 

Downstream Products

• 120323-20-8 1-[(4-fluoro-3-nitrophenyl)methyl]-1H-imidazole 
• 1182329-79-8 C₂₂H₂₀FN₅O₄S₂ 
• 873697-64-4 tert-butyl 4-[(4-fluoro-3-nitrophenyl)methyl]piperazine-1-carboxylate 

Relevant articles and documents

Structure-guided optimization of small molecules inhibiting human immunodeficiency virus 1 Tat association with the human coactivator p300/CREB binding protein-associated factor

Human immunodeficiency virus 1 (HIV-1) trans-activator Tat recruits the human transcriptional coactivator PCAF (p300/CREB binding protein-associated factor) to facilitate transcription of the integrated HIV-1 provirus. We report here structure-based lead optimization of small-molecule inhibitors that block selectively Tat and PCAF association in cells. Our lead optimization was guided by grand-canonical ensemble simulation of the receptor/lead complex that leads to definition of chemical modifications with improved lead affinity through displacing weakly bound water molecules at the ligand-receptor interface.

Compounds, Compositions and Methods

Certain substituted urea derivatives modulate the cardiac sarcomere, for example by potentiating cardiac myosin, and are useful in the treatment of systolic heart failure including congestive heart failure.

CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS

Certain substituted urea derivatives selectively modulate the cardiac sarcomere, for example by potentiating cardiac myosin, and are useful in the treatment of systolic heart failure including congestive heart failure.