79851-06-2

Basic information

• Product Name: 4-(BENZOIMIDAZOLE-1-YL)-BUTYLAMINE
• Synonyms: 4-(BENZOIMIDAZOLE-1-YL)-BUTYLAMINE;1H-Benzimidazole-1-butanamine(9CI)
• CAS NO: 79851-06-2
• Molecular Formula: C₁₁H₁₅N₃
• Molecular Weight: 189.26
• Product Categories: BENZIMIDAZOLE
• Mol File: 79851-06-2.mol
• Article Data: 7

Chemical Properties

• Melting Point: 191-193 °C(Solv: ethanol (64-17-5))
• Boiling Point: 352.6 °C at 760 mmHg
• Flash Point: 167 °C
• Appearance: /
• Density: 1.14 g/cm³
• Vapor Pressure: 3.81E-05mmHg at 25°C
• Refractive Index: 1.608
• PKA: 10.42±0.10(Predicted)
• CAS DataBase Reference: 4-(BENZOIMIDAZOLE-1-YL)-BUTYLAMINE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(BENZOIMIDAZOLE-1-YL)-BUTYLAMINE(79851-06-2)
• EPA Substance Registry System: 4-(BENZOIMIDAZOLE-1-YL)-BUTYLAMINE(79851-06-2)

Safety Data

• Hazard Codes: Xi
• Hazardous Substances Data: 79851-06-2(Hazardous Substances Data)

Usage

InChI:InChI=1/C11H15N3/c12-7-3-4-8-14-9-13-10-5-1-2-6-11(10)14/h1-2,5-6,9H,3-4,7-8,12H2

Upstream product

• 164642-69-7 2-(4-benzoimidazol-1-yl-butyl)-isoindole-1,3-dione 
• 51-17-2 benzoimidazole 
• 148245-19-6 1-(4-bromobutyl)-1H-benzo[d]imidazole 

Relevant articles and documents

Synthesis and structure–activity relationship studies of LLY-507 analogues as SMYD2 inhibitors

SET and MYND domain-containing protein 2 (SMYD2), a lysine methyltransferase, is reported to catalyze the methylation of lysine residues on histone and non-histone proteins. As a potential target for cancer therapy, there are several SMYD2 inhibitors are reported, LLY-507 as a cell-active inhibitor exhibits submicromolar potency against SMYD2 in several cancer cell lines. To know which structural fragment of LLY-507 is suitable for chemical modification, three sites are chosen for structure–activity relationship studies (SARs). Among our focused library, compounds 43 and 44 with amide link on site C showed reasonably improved potency indicating that modification on this fragment is more flexible and introduction of electrophilic warheads in this position might provide lysine-targeting covalent inhibitors for SMYD2.

Synthesis and antibacterial activity of HMR 3647 a new ketolide highly potent against erythromycin-resistant and susceptible pathogens

In the search for new ketolides with improved activities against erythromycin-resistant S. pneumoniae and H. influenzae we synthesized a new 11,12 carbamate ketolide substituted by an imidazo-pyridyl side chain: HMR 3647. This compound demonstrated a potent activity against erythromycin susceptible and resistant pathogens, including penicillin G/erythromycin A-resistant S. pneumoniae and H. influenzae. In vivo, HMR 3647 displayed good pharmacokinetic parameters (Cmax = 2.9 μg/ml, bioavailability = 49%, AUC0-8 = 17.2 μg.h/l, t( 1/2 )= lh) and was shown to have a high therapeutic efficacy in mice infected by various respiratory pathogens, including multi-resistant S. pneumoniae and Gram negative bacteria such as H. influenzae. HMR 3647 appears to be a very promising agent for the treatment of respiratory infections and is currently in clinical trials.

N-[2-HYDROXY-2-(3-HYDROXYPHENYL)ETHYL]-1H-BENZIMIDAZOLE-1-BUTANAMINE AND USE THEREOF AS A CARDIOTONIC AGENT

The compound N-2-hydroxy-2-(3-hydroxyphenyl)ethyl!-1H-benzimidazole-1-butanamine and methods for its manufacture and use are described herein. The compound is a cardiotonic agent useful primarily in the treatment of congestive heart failure.