170859-72-0

Basic information

• Product Name: 3-(3-HYDROXY-PROP-1-YNYL)-BENZONITRILE
• Synonyms: 3-(3-HYDROXY-1-PROPYNYL)BENZONITRILE;3-(3-HYDROXY-PROP-1-YNYL)-BENZONITRILE;AKOS PRN-0100;3-(3-Hydroxyprop-1-yn-1-yl)benzonitrile
• CAS NO: 170859-72-0
• Molecular Formula: C₁₀H₇NO
• Molecular Weight: 157.17
• Mol File: 170859-72-0.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 317.1 °C at 760 mmHg
• Flash Point: 145.6 °C
• Appearance: /
• Density: 1.2g/cm³
• PKA: 13.01±0.10(Predicted)
• CAS DataBase Reference: 3-(3-HYDROXY-PROP-1-YNYL)-BENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(3-HYDROXY-PROP-1-YNYL)-BENZONITRILE(170859-72-0)
• EPA Substance Registry System: 3-(3-HYDROXY-PROP-1-YNYL)-BENZONITRILE(170859-72-0)

Safety Data

• Hazard Codes: Xi
• Hazardous Substances Data: 170859-72-0(Hazardous Substances Data)

Usage

General Description

3-(3-Hydroxy-prop-1-ynyl)-benzonitrile is a chemical compound with the formula C10H7NO. It is a derivative of benzonitrile with a hydroxyl group and a propynyl moiety attached to the benzene ring. 3-(3-HYDROXY-PROP-1-YNYL)-BENZONITRILE is used in organic synthesis and in the pharmaceutical industry for the development of new drugs. It has potential applications in medicinal chemistry due to its unique structure and properties. Research on 3-(3-hydroxy-prop-1-ynyl)-benzonitrile is ongoing to explore its potential uses in various fields and industries.

Upstream product

• 69113-59-3 3-iodobenzonitrile 
• 107-19-7 propargyl alcohol 
• 6952-59-6 3-cyanobromobenzene 

Downstream Products

• 171290-53-2 3-ethynylbenzonitrile 
• 98116-50-8 3-(3-cyanophenyl)-2-(E)-propen-1-ol 
• 1399086-40-8 3-(3-oxoprop-1-yn-1-yl)benzonitrile 
• 352615-74-8 (Z)-3-(3-cyanophenyl)-2-propen-1-ol 
• 83101-13-7 3-(3-cyanophenyl)-1-propanol 
• 1620138-04-6 C₂₂H₃₅NOSn 
• 1402044-03-4 C₂₀H₁₃NO 

Relevant articles and documents

Novel Propargyl-Linked Bisubstrate Analogues as Tight-Binding Inhibitors for Nicotinamide N-Methyltransferase

Nicotinamide N-methyltransferase (NNMT) catalyzes the methyl transfer from the cofactor S-adenosylmethionine to nicotinamide and other pyridine-containing compounds. NNMT is an important regulator for nicotinamide metabolism and methylation potential. Aberrant expression levels of NNMT have been implicated in cancer, metabolic, and neurodegenerative diseases, which makes NNMT a potential therapeutic target. Therefore, potent and selective NNMT inhibitors can serve as valuable tools to investigate the roles of NNMT in its mediated diseases. Here, we applied a rational strategy to design and synthesize the tight-binding bisubstrate inhibitor LL320 through a novel propargyl linker. LL320 demonstrates a Ki value of 1.6 ± 0.3 nM, which is the most potent inhibitor to date. The cocrystal structure of LL320 confirms its interaction with both the substrate and cofactor binding sites on NNMT. Importantly, this is the first example of using the propargyl linker to construct potent methyltransferase inhibitors, which will expand our understanding of the transition state of methyl transfer.

Design and synthesis of novel xanthine derivatives as potent and selective A2B adenosine receptor antagonists for the treatment of chronic inflammatory airway diseases

Adenosine induces bronchial hyperresponsiveness and inflammation in asthmatics through activation of A2B adenosine receptor (A2BAdoR). Selective antagonists have been shown to attenuate airway reactivity and improve inflammatory cond

Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof

The present invention relates to a compound with aryl-amidines, particularly amidinoaryl-cyclopropanes, amidinoarylmethyl-pyrroles, amidinoaryl-benzenes, amidinoaryl-pyridines, or amindonoaryl-alanines, represented by formula (1), a pharmaceutically acceptable salt, a prodrug, a hydrate, a solvate or an isomer thereof, which are inhibitors of coagulation enzyme, factor Xa (FXa). The present invention also relates to a pharmaceutical composition containing the compound, and a method of using the same as an anticoagulant agent for treatment and prevention of thrombosis disorders.