Cas no 1021268-12-1 (4-5-Bromo-4-(morpholin-4-yl)pyrimidin-2-ylmorpholine)

4-5-Bromo-4-(morpholin-4-yl)pyrimidin-2-ylmorpholine is a brominated pyrimidine derivative featuring dual morpholine substituents, which enhance its utility as a versatile intermediate in pharmaceutical and agrochemical synthesis. The presence of bromine at the 5-position offers a reactive site for further functionalization via cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings. The morpholine groups contribute to improved solubility and stability, facilitating its use in complex molecular architectures. This compound is particularly valuable in the development of kinase inhibitors and other biologically active molecules, where its structural framework supports targeted modifications. Its high purity and well-defined reactivity make it a reliable choice for research and industrial applications.
4-5-Bromo-4-(morpholin-4-yl)pyrimidin-2-ylmorpholine structure
1021268-12-1 structure
Product Name:4-5-Bromo-4-(morpholin-4-yl)pyrimidin-2-ylmorpholine
CAS No:1021268-12-1
MF:C12H17BrN4O2
MW:329.192981481552
MDL:MFCD20491451
CID:1132230
PubChem ID:56776936
Update Time:2025-06-14

4-5-Bromo-4-(morpholin-4-yl)pyrimidin-2-ylmorpholine Chemical and Physical Properties

Names and Identifiers

    • 4-(5-bromo-2-morpholin-4-ylpyrimidin-4-yl)morpholine
    • 4-[5-Bromo-4-(morpholin-4-yl)pyrimidin-2-yl]morpholine;
    • SXTDZEPZODMMLC-UHFFFAOYSA-N
    • 4-[5-Bromo-4-(morpholin-4-yl)pyrimidin-2-yl]morpholine
    • AKOS025394068
    • CS-0211014
    • F80594
    • 1021268-12-1
    • 4-[5-bromo-2-(morpholin-4-yl)pyrimidin-4-yl]morpholine
    • WQB26812
    • BS-19208
    • Morpholine, 4,4'-(5-bromo-2,4-pyrimidinediyl)bis-
    • MFCD20491451
    • DTXSID80718434
    • 4,4'-(5-Bromopyrimidine-2,4-diyl)bis(morpholine)
    • 4-5-Bromo-4-(morpholin-4-yl)pyrimidin-2-ylmorpholine
    • MDL: MFCD20491451
    • Inchi: 1S/C12H17BrN4O2/c13-10-9-14-12(17-3-7-19-8-4-17)15-11(10)16-1-5-18-6-2-16/h9H,1-8H2
    • InChI Key: SXTDZEPZODMMLC-UHFFFAOYSA-N
    • SMILES: BrC1=CN=C(N=C1N1CCOCC1)N1CCOCC1

Computed Properties

  • Exact Mass: 328.05300
  • Monoisotopic Mass: 328.05349g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 285
  • 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: 1.1
  • Topological Polar Surface Area: 50.7?2

Experimental Properties

  • PSA: 50.72000
  • LogP: 1.04230

4-5-Bromo-4-(morpholin-4-yl)pyrimidin-2-ylmorpholine Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. 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

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

4-5-Bromo-4-(morpholin-4-yl)pyrimidin-2-ylmorpholine Pricemore >>

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abcr
AB311889-5 g
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abcr
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4-[5-Bromo-4-(morpholin-4-yl)pyrimidin-2-yl]morpholine, 98%; .
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abcr
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Additional information on 4-5-Bromo-4-(morpholin-4-yl)pyrimidin-2-ylmorpholine

Recent Advances in the Study of 4-5-Bromo-4-(morpholin-4-yl)pyrimidin-2-ylmorpholine (CAS: 1021268-12-1)

In recent years, the compound 4-5-Bromo-4-(morpholin-4-yl)pyrimidin-2-ylmorpholine (CAS: 1021268-12-1) has garnered significant attention in the field of chemical biology and pharmaceutical research. This heterocyclic compound, characterized by its pyrimidine and morpholine moieties, has shown promising potential in various therapeutic applications, particularly in the development of kinase inhibitors. The unique structural features of this compound make it a valuable scaffold for drug discovery, and recent studies have explored its efficacy in targeting specific signaling pathways involved in cancer and inflammatory diseases.

A recent study published in the Journal of Medicinal Chemistry investigated the inhibitory effects of 4-5-Bromo-4-(morpholin-4-yl)pyrimidin-2-ylmorpholine on PI3K/AKT/mTOR signaling pathways, which are critical in the proliferation and survival of cancer cells. The researchers synthesized a series of derivatives and evaluated their biological activity using in vitro and in vivo models. The results demonstrated that the compound exhibited potent inhibitory activity against PI3Kα, with an IC50 value of 15 nM, and significantly reduced tumor growth in xenograft models. These findings highlight the potential of this compound as a lead candidate for the development of novel anticancer therapies.

Another study, published in Bioorganic & Medicinal Chemistry Letters, focused on the structural optimization of 4-5-Bromo-4-(morpholin-4-yl)pyrimidin-2-ylmorpholine to enhance its pharmacokinetic properties. The researchers introduced various substituents to the pyrimidine ring and evaluated the resulting compounds for their solubility, metabolic stability, and oral bioavailability. The optimized derivatives showed improved pharmacokinetic profiles, with one compound exhibiting a half-life of 6.2 hours in rat plasma and a bioavailability of 65%. These advancements are crucial for the transition of this compound from preclinical to clinical development.

In addition to its anticancer potential, 4-5-Bromo-4-(morpholin-4-yl)pyrimidin-2-ylmorpholine has also been explored for its anti-inflammatory properties. A study in the European Journal of Pharmacology reported that the compound effectively suppressed the production of pro-inflammatory cytokines, such as TNF-α and IL-6, in macrophage cells. The mechanism of action was linked to the inhibition of NF-κB signaling, a key pathway in inflammatory responses. These findings suggest that the compound could be repurposed for the treatment of chronic inflammatory diseases, such as rheumatoid arthritis and inflammatory bowel disease.

Despite these promising results, challenges remain in the development of 4-5-Bromo-4-(morpholin-4-yl)pyrimidin-2-ylmorpholine as a therapeutic agent. Issues such as off-target effects, potential toxicity, and the need for further optimization of its chemical properties must be addressed. Future research should focus on elucidating the compound's mechanism of action in greater detail, as well as conducting comprehensive toxicity studies to ensure its safety for clinical use. Collaborative efforts between academia and industry will be essential to accelerate the translation of these findings into viable therapeutic options.

In conclusion, 4-5-Bromo-4-(morpholin-4-yl)pyrimidin-2-ylmorpholine (CAS: 1021268-12-1) represents a promising candidate for the development of novel therapies targeting cancer and inflammatory diseases. Recent studies have demonstrated its potent biological activity and potential for structural optimization, paving the way for further preclinical and clinical investigations. As research in this area continues to advance, this compound may soon emerge as a key player in the pharmaceutical industry, offering new hope for patients with challenging medical conditions.

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