Cas no 1220028-66-9 (N1-(6-chloropyrimidin-4-yl)-N2,N2-dimethylethane-1,2-diamine)

N1-(6-Chloropyrimidin-4-yl)-N2,N2-dimethylethane-1,2-diamine is a versatile chloropyrimidine derivative with applications in pharmaceutical and agrochemical research. Its structure features a reactive 6-chloropyrimidin-4-yl group, enabling efficient nucleophilic substitution reactions, and a dimethylaminoethylamine side chain, which enhances solubility and binding affinity. This compound serves as a key intermediate in the synthesis of biologically active molecules, particularly kinase inhibitors and antimicrobial agents. Its high purity and stability make it suitable for precision chemical synthesis. The presence of both electron-withdrawing and electron-donating groups allows for selective functionalization, facilitating the development of targeted compounds in medicinal chemistry and crop protection.
N1-(6-chloropyrimidin-4-yl)-N2,N2-dimethylethane-1,2-diamine structure
1220028-66-9 structure
Product Name:N1-(6-chloropyrimidin-4-yl)-N2,N2-dimethylethane-1,2-diamine
CAS No:1220028-66-9
MF:C8H13ClN4
MW:200.66861987114
MDL:MFCD13562555
CID:1074155
PubChem ID:56828392
Update Time:2025-06-15

N1-(6-chloropyrimidin-4-yl)-N2,N2-dimethylethane-1,2-diamine Chemical and Physical Properties

Names and Identifiers

    • N1-(6-Chloro-4-pyrimidinyl)-N2,N2-dimethyl-1,2-ethanediamine
    • N1-(6-chloropyrimidin-4-yl)-N2,N2-dimethylethane-1,2-diamine
    • 1220028-66-9
    • F1967-4522
    • N-(6-chloropyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
    • SB58877
    • AKOS009104014
    • MDL: MFCD13562555
    • Inchi: 1S/C8H13ClN4/c1-13(2)4-3-10-8-5-7(9)11-6-12-8/h5-6H,3-4H2,1-2H3,(H,10,11,12)
    • InChI Key: MFGSAWIQFXNODI-UHFFFAOYSA-N
    • SMILES: ClC1=CC(=NC=N1)NCCN(C)C

Computed Properties

  • Exact Mass: 200.0828741g/mol
  • Monoisotopic Mass: 200.0828741g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 142
  • 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: 1.5
  • Topological Polar Surface Area: 41?2

N1-(6-chloropyrimidin-4-yl)-N2,N2-dimethylethane-1,2-diamine Pricemore >>

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N1-(6-chloropyrimidin-4-yl)-N2,N2-dimethylethane-1,2-diamine Related Literature

Additional information on N1-(6-chloropyrimidin-4-yl)-N2,N2-dimethylethane-1,2-diamine

Professional Introduction to N1-(6-chloropyrimidin-4-yl)-N2,N2-dimethylethane-1,2-diamine (CAS No: 1220028-66-9)

N1-(6-chloropyrimidin-4-yl)-N2,N2-dimethylethane-1,2-diamine is a significant compound in the field of pharmaceutical chemistry, characterized by its unique molecular structure and potential applications in drug development. This compound, identified by the CAS number 1220028-66-9, has garnered attention due to its structural features and its role as a key intermediate in the synthesis of various bioactive molecules.

The molecular formula of this compound highlights its complexity and functionality. It consists of a pyrimidine core substituted with a chlorine atom at the 6-position and an ethane diamine moiety at the 1,2 positions, further modified with dimethyl groups. This specific arrangement imparts unique electronic and steric properties that make it a valuable building block in medicinal chemistry.

In recent years, there has been a growing interest in developing novel therapeutic agents that target specific biological pathways. The N1-(6-chloropyrimidin-4-yl)-N2,N2-dimethylethane-1,2-diamine structure has shown promise in this regard. Its pyrimidine scaffold is a common motif in many biologically active compounds, particularly those targeting enzymes and receptors involved in cancer and inflammatory diseases.

One of the most compelling aspects of this compound is its potential as a kinase inhibitor. Kinases are enzymes that play crucial roles in cell signaling pathways, and their dysregulation is often associated with various diseases, including cancer. The pyrimidine ring in N1-(6-chloropyrimidin-4-yl)-N2,N2-dimethylethane-1,2-diamine can be designed to interact with the ATP-binding site of kinases, thereby inhibiting their activity. This has led to several studies exploring its efficacy in preclinical models.

Recent research has demonstrated that derivatives of this compound can exhibit potent inhibitory effects on specific kinases. For instance, modifications to the ethane diamine moiety have been found to enhance binding affinity and selectivity. These findings are particularly exciting because they suggest that this compound could be developed into a targeted therapy for patients with certain types of cancer.

The dimethyl groups on the ethane diamine provide additional opportunities for structural optimization. By varying these groups, chemists can fine-tune the physicochemical properties of the compound, such as solubility and metabolic stability. These factors are critical for determining the drug-like characteristics of a potential therapeutic agent.

In addition to its kinase inhibition properties, N1-(6-chloropyrimidin-4-yl)-N2,N2-dimethylethane-1,2-diamine has also shown potential in other therapeutic areas. For example, it has been investigated for its anti-inflammatory effects. Inflammatory processes are implicated in a wide range of diseases, including autoimmune disorders and chronic inflammatory conditions. The ability of this compound to modulate inflammatory pathways could make it a valuable candidate for developing new treatments.

The synthesis of this compound involves multi-step organic reactions that require careful optimization to ensure high yield and purity. Advances in synthetic methodologies have made it possible to produce complex molecules like this one more efficiently than ever before. This has opened up new possibilities for drug discovery and development.

The use of computational tools has also played a significant role in understanding the properties of N1-(6-chloropyrimidin-4-yl)-N2,N2-dimethylethane-1,2-diamine. Molecular modeling techniques can predict how this compound interacts with biological targets, providing insights into its mechanism of action. These predictions can then be validated through experimental studies, leading to a more comprehensive understanding of its therapeutic potential.

One area where this compound shows particular promise is in the treatment of solid tumors. Solid tumors are characterized by abnormal cell growth and proliferation, which can be targeted by small molecule inhibitors like kinase inhibitors. Preclinical studies have shown that derivatives of N1-(6-chloropyrimidin-4-yl)-N2,N2-dimethylethane-1,2-diamine can inhibit tumor growth by disrupting key signaling pathways involved in cancer progression.

The development of combination therapies is another area where this compound holds great potential. By combining it with other drugs that target different aspects of cancer biology, researchers hope to achieve synergistic effects that enhance treatment outcomes. Combination therapies have already shown success in clinical trials for various types of cancer.

The future direction for research on N1-(6-chloropyrimidin-4-yl)-N2,N2-dimethylethane-1,2-diamine includes further exploration of its mechanism of action and identification of additional biological targets. Understanding how this compound interacts with cells at the molecular level will provide valuable insights into its therapeutic potential and help guide the development of new drugs.

In conclusion, N1-(6-chloropyrimidin-4-yl)-N2,N2-dimethylethane-1,2-diamine (CAS No: 1220028-66-9) is a promising compound with significant potential in pharmaceutical applications. Its unique molecular structure makes it an excellent candidate for developing novel therapeutic agents targeting various diseases. As research continues to uncover new insights into its properties and mechanisms of action, this compound is poised to play an important role in future drug development efforts.

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