Cas no 956440-81-6 (4-bromo-1-(4-bromophenyl)methyl-1H-pyrazol-3-amine)

4-Bromo-1-(4-bromophenyl)methyl-1H-pyrazol-3-amine is a brominated pyrazole derivative with potential applications in pharmaceutical and agrochemical research. Its structure features two bromine substituents, enhancing reactivity for further functionalization, making it a versatile intermediate in synthetic chemistry. The presence of the amine group at the 3-position allows for selective modifications, facilitating the development of novel compounds. This compound is particularly useful in the synthesis of biologically active molecules due to its stable pyrazole core and electrophilic bromine sites. High purity and well-defined reactivity make it suitable for precision applications in medicinal chemistry and material science. Proper handling and storage are recommended due to its sensitivity.
4-bromo-1-(4-bromophenyl)methyl-1H-pyrazol-3-amine structure
956440-81-6 structure
Product Name:4-bromo-1-(4-bromophenyl)methyl-1H-pyrazol-3-amine
CAS No:956440-81-6
MF:C10H9Br2N3
MW:331.006560087204
MDL:MFCD02254038
CID:3057797
PubChem ID:7176033
Update Time:2025-06-08

4-bromo-1-(4-bromophenyl)methyl-1H-pyrazol-3-amine Chemical and Physical Properties

Names and Identifiers

    • 4-Bromo-1-(4-bromo-benzyl)-1 H -pyrazol-3-ylamine
    • 4-bromo-1-(4-bromophenyl)methyl-1H-pyrazol-3-amine
    • 4-Bromo-1-(4-bromo-benzyl)-1H-pyrazol-3-ylamine
    • AKOS000304507
    • AB01300846-01
    • 4-Bromo-1-(4-bromobenzyl)-1,2-dihydro-3h-pyrazol-3-imine
    • 4-bromo-1-[(4-bromophenyl)methyl]pyrazol-3-amine
    • STK263701
    • VS-05035
    • EN300-227899
    • 4-bromo-1-(4-bromobenzyl)-1H-pyrazol-3-amine
    • 4-bromo-1-[(4-bromophenyl)methyl]-1H-pyrazol-3-amine
    • CS-0268109
    • 956440-81-6
    • NCGC00304628-01
    • C10H9Br2N3
    • BBL015831
    • 4-bromo-1-(4-bromo-benzyl)-1 h-pyrazol-3-ylamine
    • MDL: MFCD02254038
    • Inchi: 1S/C10H9Br2N3/c11-8-3-1-7(2-4-8)5-15-6-9(12)10(13)14-15/h1-4,6H,5H2,(H2,13,14)
    • InChI Key: RELXPRZZRBQDLP-UHFFFAOYSA-N
    • SMILES: BrC1C(N)=NN(C=1)CC1C=CC(=CC=1)Br

Computed Properties

  • Exact Mass: 330.91427Da
  • Monoisotopic Mass: 328.91632Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 207
  • 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: 2.9
  • Topological Polar Surface Area: 43.8?2

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Additional information on 4-bromo-1-(4-bromophenyl)methyl-1H-pyrazol-3-amine

Introduction to 4-bromo-1-(4-bromophenyl)methyl-1H-pyrazol-3-amine (CAS No. 956440-81-6)

4-bromo-1-(4-bromophenyl)methyl-1H-pyrazol-3-amine, with the CAS number 956440-81-6, is a synthetic compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound belongs to the class of pyrazoles, which are known for their diverse biological activities, including anti-inflammatory, analgesic, and anti-cancer properties. The presence of bromine atoms in its structure makes it particularly interesting for various applications, especially in the development of new therapeutic agents.

The molecular structure of 4-bromo-1-(4-bromophenyl)methyl-1H-pyrazol-3-amine consists of a pyrazole ring substituted with a bromomethyl group and a 4-bromophenyl group. This unique arrangement provides the compound with specific chemical and physical properties that are crucial for its biological activity. The bromine atoms contribute to the compound's lipophilicity, which can enhance its ability to cross cell membranes and interact with biological targets.

Recent studies have explored the potential of 4-bromo-1-(4-bromophenyl)methyl-1H-pyrazol-3-amine in various therapeutic areas. One notable application is in the treatment of cancer. Research has shown that this compound exhibits significant anti-proliferative effects on various cancer cell lines, including breast cancer, lung cancer, and colon cancer. The mechanism of action is believed to involve the inhibition of key signaling pathways that are dysregulated in cancer cells, such as the PI3K/AKT and MAPK pathways.

In addition to its anti-cancer properties, 4-bromo-1-(4-bromophenyl)methyl-1H-pyrazol-3-amine has also been investigated for its potential as an anti-inflammatory agent. In vitro studies have demonstrated that this compound can effectively reduce the production of pro-inflammatory cytokines, such as TNF-alpha and IL-6, in activated immune cells. This makes it a promising candidate for the treatment of inflammatory diseases, such as rheumatoid arthritis and inflammatory bowel disease.

The pharmacokinetic properties of 4-bromo-1-(4-bromophenyl)methyl-1H-pyrazol-3-amine have also been studied extensively. It has been found to have good oral bioavailability and a favorable pharmacokinetic profile, which are essential for its potential use as an oral medication. Preclinical studies have shown that this compound is well-tolerated at therapeutic doses and does not exhibit significant toxicity in animal models.

Clinical trials are currently underway to further evaluate the safety and efficacy of 4-bromo-1-(4-bromophenyl)methyl-1H-pyrazol-3-amine. Early results from phase I trials have been promising, with the compound showing good tolerability and preliminary evidence of clinical activity in patients with advanced solid tumors. These findings have paved the way for more advanced clinical trials to assess its potential as a novel therapeutic agent.

In conclusion, 4-bromo-1-(4-bromophenyl)methyl-1H-pyrazol-3-amine (CAS No. 956440-81-6) is a promising compound with a wide range of potential applications in medicine. Its unique chemical structure and biological activities make it an attractive candidate for further research and development. As ongoing studies continue to uncover its full potential, this compound may play a significant role in advancing treatments for various diseases, particularly cancer and inflammatory conditions.

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