64928-87-6

Basic information

• Product Name: 2H-Benzimidazol-2-one,1-(3-aminopropyl)-1,3-dihydro-(9CI)
• Synonyms: 2H-Benzimidazol-2-one,1-(3-aminopropyl)-1,3-dihydro-(9CI);1-(3-aminopropyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one hydrochloride
• CAS NO: 64928-87-6
• Molecular Formula: C₁₀H₁₃N₃O
• Molecular Weight: 227.69066
• Product Categories: BENZIMIDAZOLE
• Mol File: 64928-87-6.mol

Chemical Properties

• Appearance: /
• Density: 1.196 g/cm³
• PKA: 12.18±0.30(Predicted)
• CAS DataBase Reference: 2H-Benzimidazol-2-one,1-(3-aminopropyl)-1,3-dihydro-(9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 2H-Benzimidazol-2-one,1-(3-aminopropyl)-1,3-dihydro-(9CI)(64928-87-6)
• EPA Substance Registry System: 2H-Benzimidazol-2-one,1-(3-aminopropyl)-1,3-dihydro-(9CI)(64928-87-6)

Safety Data

• Hazardous Substances Data: 64928-87-6(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Synthesis:
2H-Benzimidazol-2-one,1-(3-aminopropyl)-1,3-dihydro-(9CI) is utilized as a key intermediate in the synthesis of various pharmaceutical compounds. Its presence in the molecular structure allows for the development of new drugs with improved therapeutic properties and efficacy.
Used in Organic Chemistry Reagents:
In the field of organic chemistry, 2H-Benzimidazol-2-one,1-(3-aminopropyl)-1,3-dihydro-(9CI) is employed as a reagent for the preparation of various organic compounds. Its unique chemical properties enable the synthesis of complex molecules with potential applications in research and industry.
Used in Research and Development:
2H-Benzimidazol-2-one,1-(3-aminopropyl)-1,3-dihydro-(9CI) is also used in research and development settings to explore its potential applications and properties. Its role in the creation of new chemical entities and its interaction with other molecules provide valuable insights into the development of innovative pharmaceutical and chemical products.
Used in Chemical Industry:
2H-Benzimidazol-2-one,1-(3-aminopropyl)-1,3-dihydro-(9CI) is employed in the chemical industry as a building block for the production of various chemical compounds. Its versatility and unique properties make it a valuable component in the synthesis of specialty chemicals and materials with diverse applications.

Upstream product

• 1493-27-2 ortho-nitrofluorobenzene 

Downstream Products

• 57808-66-9 domperidone 

Relevant articles and documents

HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME

A heterocyclic compound represented by formula XI, a pharmaceutically acceptable salt, a solvate, or a solvate of a pharmaceutically acceptable salt thereof, use thereof, and a composition containing the same. The compound is novel in structure and has good STAT5 inhibitory activity.

Chemical modulation of the 1-(Piperidin-4-yl)-1,3-dihydro-2h-benzo[d]imidazole-2-one scaffold as a novel NLRP3 inhibitor

In the search for new chemical scaffolds able to afford NLRP3 inflammasome inhibitors, we used a pharmacophore-hybridization strategy by combining the structure of the acrylic acid derivative INF39 with the 1-(piperidin-4-yl)1,3-dihydro-2H-benzo[d]imidazole-2-one substructure present in HS203873, a recently identified NLRP3 binder. A series of differently modulated benzo[d]imidazole-2-one derivatives were designed and synthesised. The obtained compounds were screened in vitro to test their ability to inhibit NLRP3-dependent pyroptosis and IL-1β release in PMA-differentiated THP-1 cells stimulated with LPS/ATP. The selected compounds were evaluated for their ability to reduce the ATPase activity of human recombinant NLRP3 using a newly developed assay. From this screening, compounds 9, 13 and 18, able to concentration-dependently inhibit IL-1β release in LPS/ATP-stimulated human macrophages, emerged as the most promising NLRP3 inhibitors of the series. Computational simulations were applied for building the first complete model of the NLRP3 inactive state and for identifying possible binding sites available to the tested compounds. The analyses led us to suggest a mechanism of protein– ligand binding that might explain the activity of the compounds.