575434-10-5

Basic information

• Product Name: Benzoic acid, 3-nitro-4-[(phenylmethyl)thio]-, methyl ester
• CAS NO: 575434-10-5
• Molecular Formula: C15H13NO4S
• Molecular Weight: 303.339
• Mol File: 575434-10-5.mol
• Article Data: 5

Chemical Properties

• CAS DataBase Reference: Benzoic acid, 3-nitro-4-[(phenylmethyl)thio]-, methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoic acid, 3-nitro-4-[(phenylmethyl)thio]-, methyl ester(575434-10-5)
• EPA Substance Registry System: Benzoic acid, 3-nitro-4-[(phenylmethyl)thio]-, methyl ester(575434-10-5)

Safety Data

• Hazardous Substances Data: 575434-10-5(Hazardous Substances Data)

Upstream product

• 67-56-1 methanol 
• 854166-63-5 4-benzylsulfanyl-3-nitro-benzoyl chloride 
• 14719-83-6 methyl 3-nitro-4-chlorobenzoate 
• 3492-64-6 sodium benzylmercaptide 
• 100-53-8 phenylmethanethiol 
• 96-99-1 4-chloro-3-nitrobenzoate 
• 82964-59-8 4-(benzylthio)-3-nitrobenzoic acid 
• 329-59-9 4-fluoro-3-nitro-benzoic acid methyl ester 

Downstream Products

• 928850-44-6 methyl 3-amino-4-(benzylmercapto)benzoate 
• 928850-51-5 methyl 4-(benzylmercapto)-3-[(2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}acetyl)amino]benzoate 
• 82964-59-8 4-(benzylthio)-3-nitrobenzoic acid 
• 2243162-32-3 C₁₃H₁₀N₂O₅S 
• 2243162-67-4 C₁₉H₂₁N₃O₆S 

Relevant articles and documents

Interplay of stereochemistry, conformational rigidity, and ease of synthesis for 13-membered cyclic peptidomimetics containing APC residues

As part of a program to design small molecules that bind proteins, we require cyclic peptides (or peptidomimetics) that are severely constrained such that they adopt one predominant conformation in solution. This paper describes syntheses of the 13-membered cyclic tetrapeptides 1 containing aminopyrrolidine carboxyl (APC) residues. A linear precursor was prepared and used to determine optimal conditions for cyclization of that substrate. A special linker was prepared to enable cyclization of similar linear peptidomimetics on a solid phase, and the solution-phase cyclization conditions were shown to be appropriate for this too. Stereochemical variations were then used to determine the ideal APC configuration for cyclization of the linear precursors (on a solid phase, using the conditions identified previously). Consequently, a series of compounds were prepared that are representative of compounds 1. Conformational studies of representative compounds in DMSO solution were performed primarily using (i) NOE studies, (ii) quenched molecular dynamics simulations using no constraints from experiment, and (iii) MacroModel calculations with NMR constraints. All three strategies converged to the same conclusion: the backbone of molecules based on 1 tends to adopt one preferential conformation in solution and that conformation can be predicted from the stereochemistries of the α-amino acids involved.

Novel Sulfonaminoquinoline Hepcidin Antagonists

The present invention relates to novel hepcidin antagonists, pharmaceutical compositions comprising them and the use thereof as medicaments for the use in the treatment of iron metabolism disorders, such as, in particular, iron deficiency diseases and anemias, in particular anemias in connection with chronic inflammatory diseases.

Convenient preparation and use of a new analytical construct for the analysis and development of solid-phase chemistries

An expedient and scalable synthesis of a versatile new analytical construct intermediate 1 is described. The utility of the intermediate 1 is exemplified by the preparation of the construct resin 14 incorporating an acid-labile linker which is used to con