Cas no 106690-40-8 (2-ETHYLAMINO-5-METHYL-3-NITROPYRIDINE)

2-ETHYLAMINO-5-METHYL-3-NITROPYRIDINE structure
106690-40-8 structure
Product Name:2-ETHYLAMINO-5-METHYL-3-NITROPYRIDINE
CAS No:106690-40-8
MF:C8H11N3O2
MW:181.191841363907
CID:856741
PubChem ID:13674131
Update Time:2025-11-02

2-ETHYLAMINO-5-METHYL-3-NITROPYRIDINE Chemical and Physical Properties

Names and Identifiers

    • 2-ETHYLAMINO-5-METHYL-3-NITROPYRIDINE
    • N-ethyl-5-methyl-3-nitropyridin-2-amine
    • BS-22900
    • 106690-40-8
    • AKOS006311709
    • CS-0089759
    • DTXSID90546407
    • SCHEMBL15426466
    • MFCD09862688
    • SB53223
    • Inchi: 1S/C8H11N3O2/c1-3-9-8-7(11(12)13)4-6(2)5-10-8/h4-5H,3H2,1-2H3,(H,9,10)
    • InChI Key: CKFFJTNXAIVBEV-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1=CC(C)=CN=C1NCC)=O

Computed Properties

  • Exact Mass: 181.08500
  • Monoisotopic Mass: 181.085126602g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 181
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.3
  • Topological Polar Surface Area: 70.7?2

Experimental Properties

  • PSA: 70.74000
  • LogP: 2.32620

2-ETHYLAMINO-5-METHYL-3-NITROPYRIDINE Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-ETHYLAMINO-5-METHYL-3-NITROPYRIDINE Pricemore >>

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Additional information on 2-ETHYLAMINO-5-METHYL-3-NITROPYRIDINE

Professional Introduction to 2-ETHYLAMINO-5-METHYL-3-NITROPYRIDINE (CAS No. 106690-40-8)

2-ETHYLAMINO-5-METHYL-3-NITROPYRIDINE, identified by the Chemical Abstracts Service Number (CAS No.) 106690-40-8, is a significant compound in the field of pharmaceutical chemistry and medicinal research. This heterocyclic nitro compound has garnered attention due to its unique structural properties and potential applications in drug discovery. The presence of both ethylamino and methyl substituents on the pyridine ring, combined with a nitro group, makes it a versatile scaffold for synthesizing bioactive molecules.

The compound's structure imparts distinct electronic and steric characteristics, which are critical for its interaction with biological targets. The nitro group, in particular, is a well-known pharmacophore that can participate in hydrogen bonding, hydrophobic interactions, and redox processes, making it valuable in the design of enzyme inhibitors and other therapeutic agents. Additionally, the ethylamino moiety can enhance solubility and metabolic stability, while the methyl group can influence binding affinity and selectivity.

Recent advancements in computational chemistry have enabled more precise modeling of 2-ETHYLAMINO-5-METHYL-3-NITROPYRIDINE's interactions with biological systems. Researchers have leveraged molecular dynamics simulations and quantum mechanical calculations to predict its behavior in complex molecular environments. These studies have highlighted its potential as a lead compound for targeting various diseases, including cancer, neurodegenerative disorders, and infectious diseases.

In the realm of oncology research, 2-ETHYLAMINO-5-METHYL-3-NITROPYRIDINE has been investigated for its ability to modulate key signaling pathways involved in tumor growth and progression. Preclinical studies have demonstrated that derivatives of this compound can inhibit kinases and other enzymes critical for cancer cell proliferation. The nitro group's redox-active nature allows it to engage in reversible binding interactions, which could be exploited to develop prodrugs that release active species selectively within tumor microenvironments.

The compound's derivatives have also shown promise in treating neurodegenerative diseases such as Alzheimer's and Parkinson's. The pyridine core is a common motif in drugs that target cholinergic systems, while the nitro group can cross the blood-brain barrier efficiently. By modifying the substituents on the ring, chemists have synthesized analogs with enhanced potency and reduced side effects. For instance, certain derivatives exhibit significant inhibition of acetylcholinesterase without affecting other enzymes.

Another area of interest is the use of 2-ETHYLAMINO-5-METHYL-3-NITROPYRIDINE as a scaffold for antimicrobial agents. The structural features of this compound allow it to disrupt bacterial cell wall synthesis and interfere with essential metabolic pathways. Recent studies have identified derivatives that exhibit potent activity against multidrug-resistant strains of bacteria, including those resistant to conventional antibiotics. This has opened new avenues for developing novel antibiotics targeting resistant pathogens.

The synthesis of 2-ETHYLAMINO-5-METHYL-3-NITROPYRIDINE involves multi-step organic reactions that require careful optimization to achieve high yields and purity. Common synthetic routes include nucleophilic substitution reactions on halogenated pyridines followed by nitration and functional group transformations. Advances in green chemistry principles have led to more sustainable synthetic methods, reducing waste generation and minimizing hazardous byproducts.

The pharmacokinetic properties of this compound are also under extensive investigation. Researchers are exploring ways to improve its bioavailability and tissue distribution through prodrug strategies or nanocarrier systems. For example, encapsulating 2-ETHYLAMINO-5-METHYL-3-NITROPYRIDINE within liposomes or polymers has been shown to enhance its delivery to target tissues while reducing systemic toxicity.

In conclusion, 2-ETHYLAMINO-5-METHYL-3-NITROPYRIDINE (CAS No. 106690-40-8) represents a promising candidate for further development in pharmaceutical applications. Its unique structural features make it valuable for designing drugs targeting various diseases, including cancer, neurodegenerative disorders, and infections. Ongoing research continues to uncover new synthetic pathways and therapeutic potentials, ensuring its continued relevance in medicinal chemistry.

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