385382-48-9

Basic information

• Product Name: N-Cyclopropyl5-bromonicotinamide
• Synonyms: N-Cyclopropyl5-bromonicotinamide
• CAS NO: 385382-48-9
• Molecular Formula: C₉H₉BrN₂O
• Molecular Weight: 241.087
• Product Categories: amine|alkyl bromide
• Mol File: 385382-48-9.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 377.9±27.0 °C(Predicted)
• Appearance: /
• Density: 1.62±0.1 g/cm3(Predicted)
• Storage Temp.: Inert atmosphere,Room Temperature
• PKA: 13.77±0.20(Predicted)
• CAS DataBase Reference: N-Cyclopropyl5-bromonicotinamide(CAS DataBase Reference)
• NIST Chemistry Reference: N-Cyclopropyl5-bromonicotinamide(385382-48-9)
• EPA Substance Registry System: N-Cyclopropyl5-bromonicotinamide(385382-48-9)

Safety Data

• Hazardous Substances Data: 385382-48-9(Hazardous Substances Data)

Usage

Uses

5-Bromo-N-cyclopropylnicotinamide can be used to prepare antibacterial drugs.

Upstream product

• 20826-04-4 5-bromo-3-pyridinecarboxylic acid 
• 765-30-0 Cyclopropylamine 
• 39620-02-5 5-bromonicotinoyl chloride 

Downstream Products

• 638219-62-2 5-bromo-N-cyclopropyl-1-oxy-nicotinamide 

Relevant articles and documents

Design, synthesis, and biological evaluation of novel Bcr-AblT315I inhibitors incorporating amino acids as flexible linker

Despite the success of imatinib in CML therapy through Bcr-Abl inhibition, acquired drug resistance occurs over time in patients. In particular, the resistance caused by T315I mutation remains a challenge in clinic. Herein, we embarked on a structural optimization campaign aiming at discovery of novel Bcr-Abl inhibitors toward T315I mutant based on previously reported dibenzoylpiperazin derivatives. We proposed that incorporation of flexible linker could achieve potent inhibition of Bcr-AblT315I by avoiding steric clash with bulky sidechain of Ile315. A library of 28 compounds with amino acids as linker has been developed and evaluated. Among them, compound AA2 displayed the most potent activity against Bcr-AblWT and Bcr-AblT315I, as well as toward Bcr-Abl driven K562 and K562R cells. Further investigations indicated that AA2 could induce apoptosis of K562 cells and down regulate phosphorylation of Bcr-Abl. In summary, the compounds with amino acid as novel flexible linker exhibited certain antitumor activities, providing valuable hints for the discovery of novel Bcr-Abl inhibitors to overcome T315I mutant resistance, and AA2 could be considered as a candidate for further optimization.

Alanine derivative and preparation method and application thereof

The invention discloses an alanine derivative and a preparation method and application thereof. The preparation comprises the following steps: taking biphenylpyridine as a hinge region binding fragment, introducing L-alanine as a flexible linker by adopting a fragment drug design strategy to construct a compound library with kinase inhibitory activity, and discovering a tyrosine kinase inhibitor with Bcr-Abl kinase inhibitory activity through ADP-Glo kinase activity screening. The compound can be used for preparing anti-tumor (chronic myelogenous leukemia) drugs, inhibits kinase activity of Bcr-Abl and Bcr-AblT315I, and has the activity of inhibiting cell proliferation of K562 cells. The introduction of an alanine structure has an important effect on the inhibitory activity of the compound, the structural diversity of the kinase inhibitor can be expanded, and the activity result shows that the structure can be used as a Linker pharmacodynamic fragment of the Bcr-Abl tyrosine kinase inhibitor.

Compound containing hydroxyproline and preparation method and application of compound

The invention discloses a compound containing hydroxyproline and a preparation method and application of the compound. Biphenyl pyridine serves as a hinge area bonded group, a design strategy of fragment drugs is adopted, L-hydroxyproline is introduced as