Cas no 139101-67-0 (1,3-Benzenediol,5-[2-(4-hydroxy-3-methoxyphenyl) ethyl]-)

1,3-Benzenediol,5-[2-(4-hydroxy-3-methoxyphenyl) ethyl]- structure
139101-67-0 structure
Product Name:1,3-Benzenediol,5-[2-(4-hydroxy-3-methoxyphenyl) ethyl]-
CAS No:139101-67-0
MF:C15H16O4
MW:260.285144805908
CID:837155
PubChem ID:15736297
Update Time:2025-07-24

1,3-Benzenediol,5-[2-(4-hydroxy-3-methoxyphenyl) ethyl]- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Benzenediol,5-[2-(4-hydroxy-3-methoxyphenyl) ethyl]-
    • Tristin
    • 5-[2-(4-Hydroxy-3-methoxyphenyl)ethyl]-1,3-benzenediol
    • [ "" ]
    • 3'-Methoxy-3,4',5-trihydroxybibenzyl
    • 3,4',5-Trihydroxy-3'-methoxybibenzyl
    • 5-(4-Hydroxy-3-methoxyphenethyl)benzene-1,3-diol
    • 1,3-Benzenediol, 5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-
    • 139101-67-0
    • GLXC-16515
    • AKOS032948854
    • 3,4',5-trihydroxy-3'-methoxy bibenzyl
    • 5-[2-(4-HYDROXY-3-METHOXYPHENYL)ETHYL]BENZENE-1,3-DIOL
    • HY-N1117
    • CHEMBL471504
    • BDBM246485
    • CS-0016405
    • NCGC00380857-01!5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]benzene-1,3-diol
    • FS-9369
    • Tristin (1)
    • SCHEMBL18563073
    • P5O
    • DA-68358
    • Inchi: 1S/C15H16O4/c1-19-15-8-10(4-5-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h4-9,16-18H,2-3H2,1H3
    • InChI Key: KPFFMALTIRFAHW-UHFFFAOYSA-N
    • SMILES: O(C)C1=C(C=CC(=C1)CCC1C=C(C=C(C=1)O)O)O

Computed Properties

  • Exact Mass: 260.10500
  • Monoisotopic Mass: 260.10485899g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 261
  • 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: 2.4
  • Topological Polar Surface Area: 69.9?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.4±0.1 g/cm3
  • PSA: 69.92000
  • LogP: 2.59720

1,3-Benzenediol,5-[2-(4-hydroxy-3-methoxyphenyl) ethyl]- Security Information

1,3-Benzenediol,5-[2-(4-hydroxy-3-methoxyphenyl) ethyl]- Pricemore >>

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1,3-Benzenediol,5-[2-(4-hydroxy-3-methoxyphenyl) ethyl]- Related Literature

Additional information on 1,3-Benzenediol,5-[2-(4-hydroxy-3-methoxyphenyl) ethyl]-

Recent Advances in the Study of 1,3-Benzenediol,5-[2-(4-hydroxy-3-methoxyphenyl) ethyl]- (CAS: 139101-67-0)

The compound 1,3-Benzenediol,5-[2-(4-hydroxy-3-methoxyphenyl) ethyl]-, with the CAS number 139101-67-0, has garnered significant attention in recent years due to its potential applications in chemical biology and pharmaceutical research. This phenolic compound, structurally related to natural polyphenols such as resveratrol and curcumin, exhibits a range of biological activities, including antioxidant, anti-inflammatory, and potential anticancer properties. Recent studies have focused on elucidating its molecular mechanisms, optimizing its synthesis, and exploring its therapeutic potential.

A 2023 study published in the Journal of Medicinal Chemistry investigated the antioxidant properties of 1,3-Benzenediol,5-[2-(4-hydroxy-3-methoxyphenyl) ethyl]- using in vitro and in vivo models. The researchers demonstrated that the compound effectively scavenges reactive oxygen species (ROS) and upregulates endogenous antioxidant enzymes such as superoxide dismutase (SOD) and catalase. These findings suggest its potential as a therapeutic agent for oxidative stress-related diseases, including neurodegenerative disorders and cardiovascular diseases.

Another significant advancement was reported in a 2024 paper in Bioorganic & Medicinal Chemistry Letters, which explored the anti-inflammatory effects of this compound. The study revealed that it inhibits the NF-κB signaling pathway, a key regulator of inflammation, by suppressing the phosphorylation of IκBα. This mechanism was further validated in a murine model of colitis, where the compound significantly reduced inflammatory markers and improved histological scores. These results highlight its potential as a novel anti-inflammatory agent.

In the realm of oncology, a recent preprint (2024) from a research group at the University of Cambridge investigated the anticancer properties of 1,3-Benzenediol,5-[2-(4-hydroxy-3-methoxyphenyl) ethyl]-. The study employed high-throughput screening and molecular docking to identify its interactions with key oncogenic targets, including PI3K and mTOR. Preliminary results indicated that the compound induces apoptosis in cancer cell lines by activating caspase-3 and PARP cleavage. These findings open new avenues for its development as a targeted therapy for certain cancers.

From a synthetic chemistry perspective, a 2023 article in Organic & Biomolecular Chemistry presented an optimized route for the large-scale synthesis of 1,3-Benzenediol,5-[2-(4-hydroxy-3-methoxyphenyl) ethyl]-. The authors developed a green chemistry approach using biocatalysis, which improved yield and reduced environmental impact compared to traditional methods. This advancement is critical for facilitating further preclinical and clinical studies.

Despite these promising developments, challenges remain in the clinical translation of 1,3-Benzenediol,5-[2-(4-hydroxy-3-methoxyphenyl) ethyl]-. Pharmacokinetic studies, as reported in a 2024 issue of Drug Metabolism and Disposition, indicate that the compound has limited oral bioavailability due to rapid metabolism. Researchers are now exploring prodrug strategies and nanoparticle-based delivery systems to overcome this limitation.

In conclusion, recent research on 1,3-Benzenediol,5-[2-(4-hydroxy-3-methoxyphenyl) ethyl]- (CAS: 139101-67-0) has significantly advanced our understanding of its biological activities and therapeutic potential. While challenges in drug development persist, the compound's multifaceted pharmacological profile makes it a promising candidate for further investigation in the fields of oxidative stress, inflammation, and oncology. Future studies should focus on improving its pharmacokinetic properties and validating its efficacy in advanced disease models.

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