Cas no 1417301-86-0 (2,8-diazaspiro4.5decan-3-one dihydrochloride)

2,8-Diazaspiro[4.5]decan-3-one dihydrochloride is a bicyclic spiro compound featuring a ketone group at the 3-position and two nitrogen atoms within its structure. The dihydrochloride salt form enhances its solubility and stability, making it suitable for synthetic and medicinal chemistry applications. This scaffold is valuable as a building block in the development of pharmacologically active molecules, particularly in central nervous system (CNS) targeting compounds due to its spirocyclic rigidity and potential for hydrogen bonding. Its well-defined stereochemistry and high purity ensure reproducibility in research settings. The compound is commonly utilized in the synthesis of ligands, inhibitors, and other bioactive intermediates.
2,8-diazaspiro4.5decan-3-one dihydrochloride structure
1417301-86-0 structure
Product Name:2,8-diazaspiro4.5decan-3-one dihydrochloride
CAS No:1417301-86-0
MF:C8H16Cl2N2O
MW:227.131440162659
MDL:MFCD26959536
CID:2104818
PubChem ID:75530930
Update Time:2025-06-11

2,8-diazaspiro4.5decan-3-one dihydrochloride Chemical and Physical Properties

Names and Identifiers

    • 2,8-Diazaspiro[4.5]decan-3-one dihydrochloride
    • 2,8-diazaspiro[4.5]decan-3-one;dihydrochloride
    • SY344430
    • 2,8-Diazaspiro[4.5]decan-3-one diHCl
    • MFCD26959536
    • BS-40169
    • DA-27073
    • AKOS027426429
    • 2,8-Diazaspiro[4.5]decan-3-onedihydrochloride
    • E80119
    • 1417301-86-0
    • 2,8-diazaspiro4.5decan-3-one dihydrochloride
    • MDL: MFCD26959536
    • Inchi: 1S/C8H14N2O.2ClH/c11-7-5-8(6-10-7)1-3-9-4-2-8;;/h9H,1-6H2,(H,10,11);2*1H
    • InChI Key: PUGNXFYCUYCIAW-UHFFFAOYSA-N
    • SMILES: Cl.Cl.O=C1CC2(CN1)CCNCC2

Computed Properties

  • Exact Mass: 226.0639685g/mol
  • Monoisotopic Mass: 226.0639685g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 173
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 41.1

2,8-diazaspiro4.5decan-3-one dihydrochloride Security Information

2,8-diazaspiro4.5decan-3-one dihydrochloride Pricemore >>

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abcr
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Additional information on 2,8-diazaspiro4.5decan-3-one dihydrochloride

2,8-Diazaspiro[4.5]decan-3-one Dihydrochloride: A Comprehensive Overview

The compound with CAS No. 1417301-86-0, known as 2,8-diazaspiro[4.5]decan-3-one dihydrochloride, is a unique chemical entity that has garnered significant attention in the fields of organic chemistry and pharmacology. This compound belongs to the spirocyclic class of molecules, which are characterized by two rings sharing a single atom. The spiro structure in this molecule is formed by a nitrogen atom, making it a diazaspiro compound. The presence of the diketone group (specifically the 3-one moiety) adds to its structural complexity and functional diversity.

Recent studies have highlighted the potential of 2,8-diazaspiro[4.5]decan-3-one dihydrochloride as a versatile building block in medicinal chemistry. Its spirocyclic framework allows for extensive functionalization, enabling the creation of bioactive molecules with diverse pharmacological profiles. Researchers have explored its applications in drug design, particularly in the development of kinase inhibitors and GPCR modulators. The compound's ability to adopt multiple conformations due to its flexible spiro structure has been instrumental in enhancing its binding affinity to target proteins.

The synthesis of 2,8-diazaspiro[4.5]decan-3-one dihydrochloride involves a multi-step process that typically begins with the preparation of precursor compounds such as aldehydes or ketones. The formation of the spirocyclic core is achieved through intramolecular cyclization reactions, often facilitated by acidic or basic conditions. The introduction of the dihydrochloride salt form ensures stability and solubility, making it suitable for further chemical modifications and biological assays.

In terms of biological activity, 2,8-diazaspiro[4.5]decan-3-one dihydrochloride has shown promising results in preclinical studies. It exhibits selective inhibition against certain kinases involved in cancer progression, making it a potential candidate for anticancer drug development. Additionally, its ability to modulate GPCR signaling pathways suggests its utility in treating neurodegenerative diseases and inflammatory disorders.

The structural uniqueness of this compound also makes it an attractive target for computational studies. Researchers have employed molecular docking and dynamics simulations to elucidate the interaction mechanisms between 2,8-diazaspiro[4.5]decan-3-one dihydrochloride and its biological targets. These studies have provided valuable insights into the role of the spiro nitrogen and the diketone group in stabilizing protein-ligand interactions.

From a synthetic chemistry perspective, the development of efficient routes to prepare 2,8-diazaspiro[4.5]decan-3-one dihydrochloride remains an active area of research. Green chemistry approaches, such as catalytic asymmetric synthesis and microwave-assisted reactions, are being explored to enhance yield and reduce environmental impact. These advancements are expected to facilitate large-scale production and further experimental investigations.

In conclusion, 2,8-diazaspiro[4.5]decan-3-one dihydrochloride (CAS No. 1417301-86-0) stands out as a compelling chemical entity with significant potential in drug discovery and development. Its spirocyclic architecture, functional versatility, and promising biological activity position it as a key molecule for future research endeavors.

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