171001-99-3

Basic information

• Product Name: (S)-2-(Boc-aMino)-2-phenylethyl 4-Methylbenzenesulfonate
• Synonyms: (S)-2-(Boc-aMino)-2-phenylethyl 4-Methylbenzenesulfonate
• CAS NO: 171001-99-3
• Molecular Weight: 391.488
• Mol File: 171001-99-3.mol
• Article Data: 12

Chemical Properties

• CAS DataBase Reference: (S)-2-(Boc-aMino)-2-phenylethyl 4-Methylbenzenesulfonate(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-2-(Boc-aMino)-2-phenylethyl 4-Methylbenzenesulfonate(171001-99-3)
• EPA Substance Registry System: (S)-2-(Boc-aMino)-2-phenylethyl 4-Methylbenzenesulfonate(171001-99-3)

Safety Data

• Hazardous Substances Data: 171001-99-3(Hazardous Substances Data)

Usage

General Description

The chemical "(S)-2-(Boc-aMino)-2-phenylethyl 4-Methylbenzenesulfonate" is a compound with a molecular formula C20H25NO6S. It is a sulfonate compound that consists of a phenylethyl group attached to a 4-methylbenzenesulfonate group. The Boc-amino group is a protecting group for the amine functionality, which is commonly used in organic synthesis to prevent unwanted side reactions. (S)-2-(Boc-aMino)-2-phenylethyl 4-Methylbenzenesulfonate is often utilized in the synthesis of pharmaceuticals and agrochemicals. It is important to handle it with proper care and adhere to safety precautions, as sulfonate compounds can be corrosive and harmful if not handled properly.

Upstream product

• 59410-82-1 (S)-α-phenylglycine ethyl ester hydrochloride 
• 24424-99-5 di-tert-butyl dicarbonate 
• 20989-17-7 (2S)-2-phenylglycinol 
• 117049-14-6 tert-butyl N-[(1S)-2-hydroxy-1-phenylethyl]carbamate 
• 98-59-9 p-toluenesulfonyl chloride 

Downstream Products

• 171002-02-1 ((S)-2-tert-Butylsulfanyl-1-phenyl-ethyl)-carbamic acid tert-butyl ester 
• 1103533-85-2 (S)‐2‐diphenylphosphino‐1‐phenylethylamine 
• 1239019-97-6 (S)-tert-butyl (2-(diphenylphosphino)-1-phenylethyl)carbamate 
• 1240474-61-6 4-((S)-2-dimethylamino-1-phenyl-ethylamino)-quinazoline-8-carboxamide 
• 1240476-05-4 4-((S)-2-cyclopropylamino-1-phenyl-ethylamino)-quinazoline-8-carboxamide 
• 1160983-80-1 (S)-2-azido-1-phenyl-ethylamine hydrochloride 
• 1629214-12-5 C₂₁H₂₄N₄O 
• 1629214-11-4 C₁₄H₂₀N₄ 
• 1629214-13-6 (S)-2-[(2-azido-1-phenylethylimino)methyl]-5-propargyloxyphenol 
• 1357080-22-8 4-((S)-2-azido-1-phenylethylamino)-2-trifluoromethylquinazoline-8-carboxylic acid amide 
• 1357080-20-6 C₁₉H₁₅F₃N₆O₂ 

Relevant articles and documents

Construction and activity evaluation of novel benzodioxane derivatives as dual-target antifungal inhibitors

Ergosterol exert the important function in maintaining the fluidity and osmotic pressure of fungal cells, and its key biosynthesis enzymes (Squalene epoxidase, SE; 14 α-demethylase, CYP51) displayed the obvious synergistic effects. Therefore, we expected to discover the novel antifungal compounds with dual-target (SE/CYP51) inhibitory activity. In the progress, we screened the different kinds of potent fragments based on the dual-target (CYP51, SE) features, and the method of fragment-based drug discovery (FBDD) was used to guide the construction of three different series of benzodioxane compounds. Subsequently, their chemical structures were synthesized and evaluated. These compounds displayed the obvious biological activity against the pathogenic fungal strains. Notably, target compounds 10a-2 and 22a-2 possessed the excellent broad-spectrum anti-fungal activity (MIC50, 0.125–2.0 μg/mL) and the activity against drug-resistant strains (MIC50, 0.5–2.0 μg/mL). Preliminary mechanism studies have confirmed that these compounds effectively inhibited the dual-target (SE/CYP51) activity, they could cause fungal rupture and death by blocking the bio-synthetic pathway of ergosterol. Further experiments discovered that compounds 10a-2 and 22a-2 also maintained a certain of anti-fungal effect in vivo. In summary, this study not only provided the new dual-target drug design strategy and method, but also discover the potential antifungal compounds.

Synthesis of iron P-N-P' and P-NH-P asymmetric hydrogenation catalysts

Complexes of the type mer,trans-[Fe(P-N-P)(CO)2Br]BF4 are known to be precatalysts for the asymmetric direct hydrogenation of ketones and imines. Employing related ligand scaffolds, we successfully generated and tested the series of three new precatalysts [Fe(PCy2CH2CH-NCH(R)CH2PPh2)(CO)2Br]BF4 with chirality derived from (S)-amino alcohols with phenyl, benzyl, and isopropyl substituents (R), yielding fairly active and selective systems. For the reduction of acetophenone to (S)-1-phenylethanol turnover frequencies up to 920 h-1 and up to 74% enantiomeric excess at 50 °C and 5-25 atm of H2 were obtained. We found, however, that placing these large groups R next to nitrogen was found to be deleterious to catalytic activity. Extending the scope of the ligand structure, we then developed a series of six P-N-P and five P-NH-P systems starting with o-diphenylphosphinobenzaldehyde and the phosphine-amines PPh2CHR1CHR2NH2 (R1 = H, Ph, CH2Ph, iPr with R2 = H or R1 = Me, Ph with R2 = Ph) as well as their corresponding [Fe(P-N-P)(NCMe)3][BF4]2 and [Fe(P-NH-P)(NCMe)3][BF4]2 complexes, which were not catalytically active. Finally, we made the new achiral iron complex mer,cis-Fe(PPh2(o-C6H4)CHNCH2CH2PPh2)(CO)Br2, which was active for the direct hydrogenation of acetophenone, achieving turnover frequencies of 800 h-1 at 50°C and 25 atm of H2.

BICYCLIC AZAHETEROCYCLIC CARBOXAMIDES AS INHIBITORS OF THE KINASE P70S6K

The invention provides novel bicyclic azaheterocyciic carboxamide compounds according to Formula (I), their manufacture and use for the treatment of hyperproliferative diseases, such as cancer.