Cas no 65841-10-3 (methyl 3-bromo-4,5-dihydroxybenzoate)
methyl 3-bromo-4,5-dihydroxybenzoate Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 3-bromo-4,5-dihydroxy-, methyl ester
- methyl 3-bromo-4,5-dihydroxybenzoate
- TZTKLMUXAITOOF-UHFFFAOYSA-N
- TZTKLMUXAITOOF-UHFFFAOYSA-
- InChI=1/C8H7BrO4/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,10-11H,1H3
- EN300-25382875
- Methyl 3,4-dihydroxy-5-bromobenzoate
- 65841-10-3
- 3-bromo-4,5-dihydroxy -benzoic acid methyl ester
- SCHEMBL8539124
- DTXSID10616459
-
- MDL: MFCD30603161
- Inchi: 1S/C8H7BrO4/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,10-11H,1H3
- InChI Key: TZTKLMUXAITOOF-UHFFFAOYSA-N
- SMILES: BrC1C(=C(C=C(C(=O)OC)C=1)O)O
Computed Properties
- Exact Mass: 245.95271
- Monoisotopic Mass: 245.95277g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 197
- 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: 1.9
- Topological Polar Surface Area: 66.8?2
Experimental Properties
- PSA: 66.76
methyl 3-bromo-4,5-dihydroxybenzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-25382875-0.05g |
methyl 3-bromo-4,5-dihydroxybenzoate |
65841-10-3 | 95% | 0.05g |
$101.0 | 2024-06-19 | |
| Enamine | EN300-25382875-0.1g |
methyl 3-bromo-4,5-dihydroxybenzoate |
65841-10-3 | 95% | 0.1g |
$152.0 | 2024-06-19 | |
| Enamine | EN300-25382875-0.25g |
methyl 3-bromo-4,5-dihydroxybenzoate |
65841-10-3 | 95% | 0.25g |
$216.0 | 2024-06-19 | |
| Enamine | EN300-25382875-0.5g |
methyl 3-bromo-4,5-dihydroxybenzoate |
65841-10-3 | 95% | 0.5g |
$407.0 | 2024-06-19 | |
| Enamine | EN300-25382875-1.0g |
methyl 3-bromo-4,5-dihydroxybenzoate |
65841-10-3 | 95% | 1.0g |
$528.0 | 2024-06-19 | |
| Enamine | EN300-25382875-2.5g |
methyl 3-bromo-4,5-dihydroxybenzoate |
65841-10-3 | 95% | 2.5g |
$1034.0 | 2024-06-19 | |
| Enamine | EN300-25382875-5.0g |
methyl 3-bromo-4,5-dihydroxybenzoate |
65841-10-3 | 95% | 5.0g |
$1530.0 | 2024-06-19 | |
| Enamine | EN300-25382875-10.0g |
methyl 3-bromo-4,5-dihydroxybenzoate |
65841-10-3 | 95% | 10.0g |
$2269.0 | 2024-06-19 | |
| Enamine | EN300-25382875-1g |
methyl 3-bromo-4,5-dihydroxybenzoate |
65841-10-3 | 95% | 1g |
$528.0 | 2023-09-14 | |
| Enamine | EN300-25382875-5g |
methyl 3-bromo-4,5-dihydroxybenzoate |
65841-10-3 | 95% | 5g |
$1530.0 | 2023-09-14 |
methyl 3-bromo-4,5-dihydroxybenzoate Related Literature
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
Additional information on methyl 3-bromo-4,5-dihydroxybenzoate
Recent Advances in the Study of Methyl 3-Bromo-4,5-dihydroxybenzoate (CAS: 65841-10-3) in Chemical Biology and Pharmaceutical Research
Methyl 3-bromo-4,5-dihydroxybenzoate (CAS: 65841-10-3) is a synthetic phenolic ester derivative that has garnered significant attention in recent years due to its potential applications in chemical biology and pharmaceutical research. This compound, characterized by its brominated dihydroxybenzoate structure, has been the subject of numerous studies aimed at exploring its biological activities, synthetic pathways, and therapeutic potential. The following research briefing provides an overview of the latest findings related to this compound, highlighting its significance in the field.
Recent studies have focused on the synthesis and optimization of methyl 3-bromo-4,5-dihydroxybenzoate, with particular emphasis on its role as a precursor for more complex bioactive molecules. Researchers have developed novel synthetic routes to improve yield and purity, leveraging advanced techniques such as microwave-assisted synthesis and catalytic bromination. These advancements have facilitated the production of high-quality batches of the compound, enabling more rigorous biological testing and application in drug discovery pipelines.
In the realm of biological activity, methyl 3-bromo-4,5-dihydroxybenzoate has demonstrated promising antimicrobial and antioxidant properties. In vitro studies have shown that the compound exhibits significant inhibitory effects against a range of Gram-positive and Gram-negative bacteria, including methicillin-resistant Staphylococcus aureus (MRSA) and Escherichia coli. Additionally, its antioxidant capacity has been evaluated using assays such as DPPH and ABTS, revealing potent free radical scavenging activity. These findings suggest potential applications in the development of new antimicrobial agents and antioxidants for therapeutic use.
Further investigations into the mechanistic pathways of methyl 3-bromo-4,5-dihydroxybenzoate have revealed its ability to modulate key cellular processes. For instance, the compound has been shown to interfere with bacterial cell wall synthesis and disrupt oxidative stress pathways in microbial cells. In eukaryotic systems, preliminary data indicate potential anti-inflammatory effects, mediated through the inhibition of pro-inflammatory cytokines such as TNF-α and IL-6. These insights open new avenues for the compound's application in treating inflammatory and infectious diseases.
Despite these promising results, challenges remain in the clinical translation of methyl 3-bromo-4,5-dihydroxybenzoate. Issues such as bioavailability, metabolic stability, and potential toxicity need to be addressed through further preclinical studies. Recent efforts have focused on structural modifications to enhance the compound's pharmacokinetic properties while retaining its bioactivity. Collaborative research between chemists and pharmacologists is essential to overcome these hurdles and advance the compound toward clinical trials.
In conclusion, methyl 3-bromo-4,5-dihydroxybenzoate (CAS: 65841-10-3) represents a versatile and bioactive molecule with significant potential in chemical biology and pharmaceutical research. Ongoing studies continue to uncover its multifaceted biological activities and refine its synthetic and therapeutic applications. As research progresses, this compound may emerge as a valuable candidate for the development of novel antimicrobial, antioxidant, and anti-inflammatory agents, contributing to the advancement of modern medicine.
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