Cas no 1187927-43-0 (2-Methyl-octahydro-pyrrolo3,4-cpyrrole)

2-Methyl-octahydro-pyrrolo3,4-cpyrrole structure
1187927-43-0 structure
Product Name:2-Methyl-octahydro-pyrrolo3,4-cpyrrole
CAS No:1187927-43-0
MF:C7H16Cl2N2
MW:199.121339797974
MDL:MFCD11506302
CID:1032441
PubChem ID:71464040
Update Time:2025-07-22

2-Methyl-octahydro-pyrrolo3,4-cpyrrole Chemical and Physical Properties

Names and Identifiers

    • 2-Methyloctahydropyrrolo[3,4-c]pyrrole dihydrochloride
    • 2-methyl-octahydropyrrolo[3,4-c]pyrrole dihydrochloride
    • 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole,dihydrochloride
    • MFCD11506302
    • Pyrrolo[3,4-c]pyrrole, octahydro-2-Methyl-, hydrochloride (1
    • 1187927-43-0
    • AM81135
    • 2-Methyl-octahydro-pyrrolo[3,4-c]pyrrole dihydrochloride
    • A892875
    • AS-71022
    • SY123748
    • 2-Methyloctahydropyrrolo[3,4-c]pyrrole diHCl
    • EN300-296466
    • DTXSID10855861
    • PYRROLO[3,4-C]PYRROLE, OCTAHYDRO-2-METHYL-, 2HCL
    • AKOS016011251
    • cis-2-methyl-octahydropyrrolo[3,4-c]pyrrole dihydrochloride
    • CS-0007608
    • Pyrrolo[3,4-c]pyrrole, octahydro-2-methyl-, hydrochloride (1:2)
    • 2-Methyloctahydropyrrolo[3,4-c]pyrrole--hydrogen chloride (1/2)
    • 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride
    • Octahydro-2-methyl-pyrrolo[3,4-c]pyrrole dihydrochloride
    • 2-Methyloctahydropyrrolo[3,4-c]pyrroledihydrochloride
    • SB18585
    • SB18395
    • cis-2-Methyl-octahydro-pyrrolo[3,4-c]pyrrole dihydrochloride
    • 2-Methyl-octahydro-pyrrolo3,4-cpyrrole
    • MDL: MFCD11506302
    • Inchi: 1S/C7H14N2.2ClH/c1-9-4-6-2-8-3-7(6)5-9;;/h6-8H,2-5H2,1H3;2*1H
    • InChI Key: NQSFFBGSZKBOTL-UHFFFAOYSA-N
    • SMILES: Cl.Cl.N1(C)CC2CNCC2C1

Computed Properties

  • Exact Mass: 198.0690539g/mol
  • Monoisotopic Mass: 198.0690539g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 102
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 15.3?2

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Additional information on 2-Methyl-octahydro-pyrrolo3,4-cpyrrole

Introduction to 2-Methyl-octahydro-pyrrolo[3,4-cpyrrole] (CAS No. 1187927-43-0)

2-Methyl-octahydro-pyrrolo[3,4-cpyrrole], identified by the Chemical Abstracts Service Number (CAS No.) 1187927-43-0, is a heterocyclic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal research. This compound belongs to the pyrrolopyrrole class, a structural motif known for its diverse biological activities and potential applications in drug discovery. The presence of a methyl substituent and the octahydro framework of the pyrrolopyrrole core contribute to its unique chemical properties, making it a subject of interest for synthetic chemists and biologists alike.

The molecular structure of 2-Methyl-octahydro-pyrrolo[3,4-cpyrrole] consists of two fused seven-membered rings, one of which is a pyrrole ring and the other a piperidine ring. The methyl group attached to the system introduces steric and electronic effects that can modulate the compound's reactivity and biological interactions. This structural feature has been explored in various synthetic strategies to develop derivatives with enhanced pharmacological profiles.

In recent years, there has been growing interest in heterocyclic compounds as scaffolds for drug development. Pyrrolopyrroles, in particular, have shown promise in several therapeutic areas, including antiviral, anti-inflammatory, and anticancer applications. The octahydro-pyrrolo[3,4-cpyrrole] scaffold has been investigated for its ability to interact with biological targets such as enzymes and receptors. Researchers have leveraged its flexibility and functional group compatibility to design molecules that exhibit desirable pharmacokinetic properties.

One of the most compelling aspects of 2-Methyl-octahydro-pyrrolo[3,4-cpyrrole] is its potential as a building block for more complex drug candidates. By modifying the substituents on the pyrrolopyrrole core or appending functional groups at strategic positions, chemists can fine-tune the compound's biological activity. For instance, studies have demonstrated that introducing polar or aromatic moieties can enhance binding affinity to specific targets. This adaptability makes 2-Methyl-octahydro-pyrrolo[3,4-cpyrrole] a valuable asset in medicinal chemistry libraries.

The synthesis of 2-Methyl-octahydro-pyrrolo[3,4-cpyrrole] typically involves multi-step organic reactions that require careful control of reaction conditions. Common methodologies include cyclization reactions followed by functional group transformations to introduce the desired substituents. Advances in catalytic systems have enabled more efficient and sustainable synthetic routes, reducing the environmental impact of drug development processes. These improvements align with the broader trend toward green chemistry principles in pharmaceutical manufacturing.

Recent research has highlighted the biological significance of 2-Methyl-octahydro-pyrrolo[3,4-cpyrrole] by investigating its interactions with model biological systems. In vitro studies have shown that this compound can modulate enzyme activity and cellular signaling pathways relevant to disease mechanisms. For example, derivatives of this scaffold have been found to inhibit kinases involved in cancer progression or interfere with viral replication mechanisms. Such findings underscore the compound's potential as a lead molecule for therapeutic intervention.

The pharmacological evaluation of 2-Methyl-octahydro-pyrrolo[3,4-cpyrrole] has also focused on its metabolic stability and pharmacokinetic behavior. Understanding how a compound is processed within an organism is crucial for determining its clinical efficacy and safety profile. Computational modeling techniques have been employed to predict metabolic pathways and identify potential liabilities early in drug discovery pipelines. These tools help researchers prioritize candidates like 2-Methyl-octahydro-pyrrolo[3,4-cpyrrole] based on their predicted behavior in vivo.

Another area of interest is the exploration of 2-Methyl-octahydro-pyrrolo[3,4-cpyrrole] as a starting point for structure-activity relationship (SAR) studies. By systematically varying substituents or altering the core structure, researchers can gather insights into which chemical features are most critical for biological activity. This information guides the design of next-generation compounds with improved properties. SAR studies are fundamental to rational drug design and have been instrumental in optimizing lead compounds like 2-Methyl-octahydro-pyrrolo[3,4-cpyrrole].

The versatility of 2-Methyl-octahydro-pyrrolo[3,4-cpyrrole] extends beyond traditional pharmaceutical applications. Its unique structural features make it attractive for materials science research as well. For instance, derivatives of this compound have been investigated as precursors for organic electronic materials due to their ability to form stable conjugated systems. Such applications highlight the broad utility of heterocyclic chemistry beyond healthcare solutions.

In conclusion,2-Methyl-octahydro-pyrrolo[3,4-cpyrrole] (CAS No. 1187927-43-0) represents a promising candidate for further exploration in drug discovery and materials science. Its structural complexity and functional group compatibility provide ample opportunities for synthetic innovation and biological investigation. As research continues to uncover new applications for this compound,2-Methyl-octahydro-pyrrolo[3,4-cpyrrole] is poised to play an important role in advancing scientific understanding and therapeutic development.

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