91347-99-8

Basic information

• Product Name: 4-(4-BROMO-PHENYL)-1,2,3,6-TETRAHYDRO-PYRIDINE
• Synonyms: 4-(4-BROMO-PHENYL)-1,2,3,6-TETRAHYDRO-PYRIDINE;4-BROMOPHENYL-1,2,3,6-TETRAHYDROPYRIDINE
• CAS NO: 91347-99-8
• Molecular Formula: C₁₁H₁₂BrN
• Molecular Weight: 238.12
• Mol File: 91347-99-8.mol

Chemical Properties

• Boiling Point: 313.7°C at 760 mmHg
• Flash Point: 143.5°C
• Appearance: /
• Density: 1.367g/cm³
• Vapor Pressure: 0.000489mmHg at 25°C
• Refractive Index: 1.582
• Storage Temp.: 2-8°C
• PKA: 9.20±0.10(Predicted)
• CAS DataBase Reference: 4-(4-BROMO-PHENYL)-1,2,3,6-TETRAHYDRO-PYRIDINE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(4-BROMO-PHENYL)-1,2,3,6-TETRAHYDRO-PYRIDINE(91347-99-8)
• EPA Substance Registry System: 4-(4-BROMO-PHENYL)-1,2,3,6-TETRAHYDRO-PYRIDINE(91347-99-8)

Safety Data

• Hazardous Substances Data: 91347-99-8(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
4-(4-BROMO-PHENYL)-1,2,3,6-TETRAHYDRO-PYRIDINE is used as a synthetic intermediate for the creation of various organic compounds. Its unique structure allows for the formation of new chemical entities through reactions such as substitution, addition, and condensation.
Used in Pharmaceutical Research:
In the pharmaceutical industry, 4-(4-BROMO-PHENYL)-1,2,3,6-TETRAHYDRO-PYRIDINE is used as a key component in the development of new drugs. Its presence in the molecular structure can influence the pharmacological properties of the resulting compounds, making it a valuable tool in drug design and optimization.
Used in Drug Production:
4-(4-BROMO-PHENYL)-1,2,3,6-TETRAHYDRO-PYRIDINE is utilized in the production of certain drugs, particularly those targeting the central nervous system. Its tetrahydropyridine structure can contribute to the modulation of neurotransmitter activity, offering potential therapeutic benefits in the treatment of neurological disorders.
Used in Agrochemicals:
In the agrochemical industry, 4-(4-BROMO-PHENYL)-1,2,3,6-TETRAHYDRO-PYRIDINE is used as a building block for the synthesis of bioactive compounds with pesticidal properties. Its ability to interact with biological targets can lead to the development of novel agrochemicals for crop protection and pest management.
Used in Medicinal Chemistry and Drug Discovery:
4-(4-BROMO-PHENYL)-1,2,3,6-TETRAHYDRO-PYRIDINE is employed as a versatile scaffold in medicinal chemistry for the design and synthesis of bioactive molecules. Its structural features can be exploited to create compounds with potential therapeutic applications, contributing to the advancement of drug discovery efforts.

InChI:InChI=1/C11H12BrN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-5,13H,6-8H2

Upstream product

• 57988-58-6 4-(4-bromophenyl)-4-hydroxy-piperidine 
• 79099-07-3 N-tert-butyloxycarbonylpiperidin-4-one 
• 106-37-6 1.4-dibromobenzene 
• 375853-82-0 tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-1(2H)-pyridinecarboxylate 
• 163209-96-9 tert-butyl 4-(4-bromophenyl)-4-hydroxypiperidine-1-carboxylate 
• 273727-44-9 4-(4-bromo-phenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester 
• 138647-49-1 4-Trifluoromethanesulfonyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester 
• 18620-02-5 (4-bromophenyl)magnesium bromide 
• 5467-74-3 4-Bromophenylboronic acid 

Downstream Products

• 219685-06-0 4-{2-[4-(4-bromo-phenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxo-ethoxy}-naphthalene-1-carbaldehyde 
• 273727-44-9 4-(4-bromo-phenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester 
• 1236000-68-2 4-(4-bromophenyl)-1-({4-[(trifluoromethyl)oxy]phenyl}methyl)-1,2,3,6-tetrahydropyridine 
• 956136-85-9 4-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-piperidine-1-carboxylic acid tert-butyl ester 

Relevant articles and documents

PYRROLO[3,2-C]PYRIDINE DERIVATIVES AS TLR INHIBITORS

The present invention provides a heterocyclic compound having a TLR7, TLR9, TLR7/8, TLR7/9 or TLR7/8/9 inhibitory action, which is useful as an agent for the prophylaxis or treatment of autoimmune diseases, inflammatory diseases and the like, in particular, systemic lupus erythematosus, Sjogren's syndrome, rheumatoid arthritis, psoriasis, inflammatory bowel disease and the like. The present invention is a compound represented by the formula (1): wherein each symbol is as described in the specification, or a salt thereof.

TRIAZOLE DERIVATIVES AS P2Y14 RECEPTOR ANTAGONISTS

Described are compounds, which are antagonists of the P2Y14 receptor, for example, a compound of formula (I) in which ring A, R1,R2, R3, and n are as described herein. Also provided are dendron conjugates comprising the compounds, and methods of using the compounds, including a method of treating a disorder, such as inflammation, diabetes, insulin resistance, hyperglycemia, a lipid disorder, obesity, a condition associated with metabolic syndrome, and asthma, and a method of antagonizing P214 receptor activity in a cell.

Structure-Based Design of 3-(4-Aryl-1H-1,2,3-triazol-1-yl)-Biphenyl Derivatives as P2Y14 Receptor Antagonists

UDP and UDP-glucose activate the P2Y14 receptor (P2Y14R) to modulate processes related to inflammation, diabetes, and asthma. A computational pipeline suggested alternatives to naphthalene of a previously reported P2Y14R antagonist (3, PPTN) using docking and molecular dynamics simulations on a hP2Y14R homology model based on P2Y12R structures. By reevaluating the binding of 3 to P2Y14R computationally, two alternatives, i.e., alkynyl and triazolyl derivatives, were identified. Improved synthesis of fluorescent antagonist 4 enabled affinity quantification (IC50s, nM) using flow cytometry of P2Y14R-expressing CHO cells. p-F3C-phenyl-triazole 65 (32) was more potent than a corresponding alkyne 11. Thus, additional triazolyl derivatives were prepared, as guided by docking simulations, with nonpolar aryl substituents favored. Although triazoles were less potent than 3 (6), simpler synthesis facilitated further structural optimization. Additionally, relative P2Y14R affinities agreed with predicted binding of alkynyl and triazole analogues. These triazoles, designed through a structure-based approach, can be assessed in disease models.

METALLO-BETA-LACTAMASE INHIBITORS

The present invention relates to compounds of formula (I) that are metallo-β-lactamase inhibitors, the synthesis of such compounds, and the use of such compounds for use with β-lactam antibiotics for overcoming resistance.

METALLO-BETA-LACTAMASE INHIBITORS

The present invention relates to compounds of formula I that are metallo-β-lactamase inhibitors, the synthesis of such compounds, and the use of such compounds for use with β-lactam antibiotics for overcoming resistance.

PYRROLO[3,2-C]PYRIDINE DERIVATIVES AS TLR INHIBITORS

The present invention provides a heterocyclic compound having a TLR7, TLR9, TLR7/8, TLR7/9 or TLR7/8/9 inhibitory action, which is useful as an agent for the prophylaxis or treatment of autoimmune diseases, inflammatory diseases and the like, in particular, systemic lupus erythematosus, Sjogren's syndrome, rheumatoid arthritis, psoriasis, inflammatory bowel disease and the like. The present invention is a compound represented by the formula (1): wherein each symbol is as described in the specification, or a salt thereof.

METALLO-BETA-LACTAMASE INHIBITORS

The present invention relates to compounds of formula (I) that are metallo-β-lactamase inhibitors, the synthesis of such compounds, and the use of such compounds for use with β-lactam antibiotics for overcoming resistance.

4 ( 1H) -PYRIDINONE DERIVATIVES AND THEIR USE AS ANTIMALARIA AGENTS

4-pyridone (4-pyridinone) derivatives of Formula (I) and pharmaceutically acceptable derivatives thereof, processes for their preparation, pharmaceutical formulations thereof and their use in chemotherapy of certain parasitic infections such as malaria, are provided.

INHIBITORS OF THE BMP SIGNALING PATHWAY

The present invention provides small molecule inhibitors of BMP signaling. These compounds may be used to modulate cell growth, differentiation, proliferation, and apoptosis, and thus may be useful for treating diseases or conditions associated with BMP signaling, including inflammation, cardiovascular disease, hematological disease, cancer, and bone disorders, as well as for modulating cellular differentiation and/or proliferation.

HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS

Disclosed are the ERK inhibitors of formula 1.0: [Formula (1.0)] and the pharmaceutically acceptable salts, esters and solvates thereof. Q is a piperidine or piperazine ring that can have a bridge or a fused ring. The piperidine ring can have a double bond in the ring. All other substitutents are as defined herein. Also disclosed are methods of treating cancer using the compounds of formula 1.0.