875272-89-2

Basic information

• Product Name: (S)-4-fluoro-4-Methyl-2-((S)-2,2,2-trifluoro-1-(4'-(Methylsulfonyl)biphenyl-4-yl)ethylaMino)pentanoic acid
• Synonyms: (S)-4-fluoro-4-Methyl-2-((S)-2,2,2-trifluoro-1-(4'-(Methylsulfonyl)biphenyl-4-yl)ethylaMino)pentanoic acid;(S)-4-fluoro-4-methyl-2-(((S)-2,2,2-trifluoro-1-(4-(methylsulfonyl)-[1,1-biphenyl]-4-yl)ethyl)amino)pentanoic acid
• CAS NO: 875272-89-2
• Molecular Formula: C₂₁H₂₃F₄NO₄S
• Molecular Weight: 461.4702328
• Mol File: 875272-89-2.mol
• Article Data: 5

Chemical Properties

• Appearance: /
• CAS DataBase Reference: (S)-4-fluoro-4-Methyl-2-((S)-2,2,2-trifluoro-1-(4'-(Methylsulfonyl)biphenyl-4-yl)ethylaMino)pentanoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-4-fluoro-4-Methyl-2-((S)-2,2,2-trifluoro-1-(4'-(Methylsulfonyl)biphenyl-4-yl)ethylaMino)pentanoic acid(875272-89-2)
• EPA Substance Registry System: (S)-4-fluoro-4-Methyl-2-((S)-2,2,2-trifluoro-1-(4'-(Methylsulfonyl)biphenyl-4-yl)ethylaMino)pentanoic acid(875272-89-2)

Safety Data

• Hazardous Substances Data: 875272-89-2(Hazardous Substances Data)

Usage

Description

(S)-4-fluoro-4-Methyl-2-((S)-2,2,2-trifluoro-1-(4'-(Methylsulfonyl)biphenyl-4-yl)ethylaMino)pentanoic acid is a complex chemical compound characterized by a fluoro-substituted methyl group, a trifluoroethylamino group, and a pentanoic acid moiety. The molecule also features a biphenyl-4-yl group with a methylsulfonyl substituent, contributing to its intricate structure. (S)-4-fluoro-4-Methyl-2-((S)-2,2,2-trifluoro-1-(4'-(Methylsulfonyl)biphenyl-4-yl)ethylaMino)pentanoic acid holds potential for various applications, particularly in the pharmaceutical industry for the development of innovative drugs.

Uses

Used in Pharmaceutical Industry:
(S)-4-fluoro-4-Methyl-2-((S)-2,2,2-trifluoro-1-(4'-(Methylsulfonyl)biphenyl-4-yl)ethylaMino)pentanoic acid is used as a precursor or building block for the synthesis of new pharmaceutical compounds due to its unique structural features and the potential for specific interactions with biological targets.
Used in Drug Development:
(S)-4-fluoro-4-Methyl-2-((S)-2,2,2-trifluoro-1-(4'-(Methylsulfonyl)biphenyl-4-yl)ethylaMino)pentanoic acid is utilized in drug development for the creation of novel therapeutic agents, potentially targeting a range of diseases and conditions. Its complex structure allows for the possibility of fine-tuning its properties to achieve desired pharmacological effects.
Used in Medicinal Chemistry Research:
(S)-4-fluoro-4-Methyl-2-((S)-2,2,2-trifluoro-1-(4'-(Methylsulfonyl)biphenyl-4-yl)ethylaMino)pentanoic acid serves as a subject of study in medicinal chemistry research, where its properties and interactions with biological systems are explored to understand its potential as a therapeutic agent or as a tool for probing biological mechanisms.

Upstream product

• 893407-18-6 2,2,2-trifluoro-1-(4‘-(methylsulfonyl)-[1,1'-biphenyl]-4-yl)ethanone 
• 2095926-24-0 (S)-ethyl 2-amino-4-fluoro-4-methylpentanoate hydrochloride 
• 893407-15-3 2,2,2-trifluoro-1-(4‘-(methylthio)-[1,1‘-biphenyl]-4-yl)ethanone 
• 589-87-7 1,4-bromoiodobenzene 
• 98546-51-1 (4-thiomethoxyphenyl)boronic acid 
• 1004294-77-2 2,2,2-trifluoro-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethan-1-one 
• 3393-00-8 (4’-bromo-[1,1’-biphenyl]-4-yl)(methyl)sulfane 
• 16184-89-7 4'-bromo-2,2,2-trifluoroacetophenone 
• 92-86-4 4-(4-bromophenyl)bromobenzene 
• 25895-60-7 sodium cyanoborohydride 
• 848949-85-9 ethyl (2S)-2-amino-4-fluoro-4-methylpentanoate sulfate salt 

Downstream Products

• 1064076-86-3 (2S)-4-fluoro-4-methyl-2-({(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)biphenyl-4-yl]ethyl}amino)pentanoic acid dicyclohexylamine salt 

Relevant articles and documents

The Alkyne Moiety as a Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K

Irreversible covalent inhibitors can have a beneficial pharmacokinetic/pharmacodynamics profile but are still often avoided due to the risk of indiscriminate covalent reactivity and the resulting adverse effects. To overcome this potential liability, we introduced an alkyne moiety as a latent electrophile into small molecule inhibitors of cathepsin K (CatK). Alkyne-based inhibitors do not show indiscriminate thiol reactivity but potently inhibit CatK protease activity by formation of an irreversible covalent bond with the catalytic cysteine residue, confirmed by crystal structure analysis. The rate of covalent bond formation (kinact) does not correlate with electrophilicity of the alkyne moiety, indicative of a proximity-driven reactivity. Inhibition of CatK-mediated bone resorption is validated in human osteoclasts. Together, this work illustrates the potential of alkynes as latent electrophiles in small molecule inhibitors, enabling the development of irreversible covalent inhibitors with an improved safety profile.

Preparation method of odanacatib, and preparation method of odanacatib intermediate

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