Cas no 40511-78-2 (8-Bromopyrido[3,4-d]pyridazine)

8-Bromopyrido[3,4-d]pyridazine is a heterocyclic brominated compound serving as a versatile intermediate in organic synthesis and pharmaceutical research. Its pyridopyridazine core structure, combined with the reactive bromine substituent, facilitates selective functionalization through cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings, enabling the construction of complex nitrogen-containing scaffolds. This compound is particularly valuable in medicinal chemistry for the development of bioactive molecules, including kinase inhibitors and other therapeutic agents. High purity and well-defined reactivity make it a reliable building block for targeted molecular design. Its stability under standard handling conditions further ensures consistent performance in synthetic applications.
8-Bromopyrido[3,4-d]pyridazine structure
40511-78-2 structure
Product Name:8-Bromopyrido[3,4-d]pyridazine
CAS No:40511-78-2
MF:C7H4BrN3
MW:210.030759811401
CID:2826350
PubChem ID:12383510
Update Time:2025-06-10

8-Bromopyrido[3,4-d]pyridazine Chemical and Physical Properties

Names and Identifiers

    • DTXSID50495604
    • 8-Bromopyrido[3,4-d]pyridazine
    • 40511-78-2
    • Pyrido[3,4-d]pyridazine, 8-bromo-
    • G83058
    • Inchi: 1S/C7H4BrN3/c8-7-4-9-1-5-2-10-11-3-6(5)7/h1-4H
    • InChI Key: WWAVHVMGQUIHEV-UHFFFAOYSA-N
    • SMILES: BrC1=CN=CC2C=NN=CC=21

Computed Properties

  • Exact Mass: 208.95886g/mol
  • Monoisotopic Mass: 208.95886g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • 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: 0.7
  • Topological Polar Surface Area: 38.7?2

8-Bromopyrido[3,4-d]pyridazine Pricemore >>

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Additional information on 8-Bromopyrido[3,4-d]pyridazine

Chemical Profile of 8-Bromopyrido[3,4-d]pyridazine (CAS No. 40511-78-2)

8-Bromopyrido[3,4-d]pyridazine, identified by its Chemical Abstracts Service (CAS) number 40511-78-2, is a heterocyclic compound that has garnered significant attention in the field of pharmaceutical and medicinal chemistry. This bicyclic structure, featuring a bromine substituent on a pyrido[3,4-d]pyridazine core, presents a unique framework that has been explored for its potential biological activities and synthetic utility.

The pyrido[3,4-d]pyridazine scaffold is a fused bicyclic system consisting of two pyridazine rings connected at the 3 and 4 positions. The presence of a bromine atom at the 8-position introduces electrophilic characteristics, making this compound a valuable intermediate in organic synthesis. The bromine substituent can participate in various chemical transformations, including cross-coupling reactions, which are widely employed in the construction of complex molecular architectures.

In recent years, 8-Bromopyrido[3,4-d]pyridazine has been investigated for its pharmacological properties. The fused ring system of pyrido[3,4-d]pyridazine is structurally reminiscent of certain bioactive natural products and drug molecules. Preliminary studies have suggested that derivatives of this compound may exhibit interactions with biological targets such as kinases and transcription factors. These interactions are of particular interest due to the role of such targets in various diseases, including cancer and inflammatory disorders.

One of the most compelling aspects of 8-Bromopyrido[3,4-d]pyridazine is its versatility as a building block in medicinal chemistry. The bromine atom allows for facile functionalization through palladium-catalyzed cross-coupling reactions, such as Suzuki-Miyaura and Buchwald-Hartwig couplings. These reactions enable the introduction of aryl, heteroaryl, and alkyl groups at various positions on the pyrido[3,4-d]pyridazine core. Such modifications can fine-tune the pharmacokinetic and pharmacodynamic properties of the resulting compounds.

Recent advances in computational chemistry have further enhanced the exploration of 8-Bromopyrido[3,4-d]pyridazine derivatives. Molecular modeling studies have been employed to predict binding affinities and optimize lead structures. These computational approaches have identified promising candidates for further experimental validation. For instance, virtual screening has been used to identify analogs of 8-Bromopyrido[3,4-d]pyridazine that exhibit enhanced binding to specific protein targets.

The synthesis of 8-Bromopyrido[3,4-d]pyridazine itself is an intriguing challenge due to the complexity of the fused ring system. Traditional synthetic routes involve multi-step sequences that require careful control of reaction conditions to avoid unwanted side products. However, recent methodologies have emerged that streamline the synthesis while maintaining high yields and purity. These advancements have made 40511-78-2 more accessible for researchers aiming to explore its potential applications.

In addition to its synthetic utility, 8-Bromopyrido[3,4-d]pyridazine has been studied for its role in developing novel therapeutic agents. Researchers have synthesized several derivatives and evaluated their biological activity in vitro and in vivo. Some studies have demonstrated that certain analogs exhibit inhibitory effects on enzymes implicated in disease pathways. For example, derivatives with modifications at the 5-position have shown promise in preclinical models by modulating kinase activity.

The future direction of research on 8-Bromopyrido[3,4-d]pyridazine is likely to focus on expanding its chemical space through innovative synthetic strategies. Exploration of different substitution patterns and exploration of novel reaction pathways will be crucial in discovering new bioactive molecules. Furthermore, interdisciplinary approaches combining medicinal chemistry with bioinformatics and structural biology will be instrumental in accelerating the discovery process.

Overall,8-Bromopyrido[3,4-d]pyridazine (CAS No. 40511-78-2) represents a fascinating compound with significant potential in pharmaceutical research. Its unique structural features and synthetic accessibility make it a valuable scaffold for developing new drugs targeting various diseases. As research continues to uncover its biological significance,this heterocyclic compound is poised to play an important role in future therapeutic innovations.

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