Cas no 731810-03-0 (Methyl 6-bromo-2-methyl-3-nitrobenzoate)
Methyl 6-bromo-2-methyl-3-nitrobenzoate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 6-bromo-2-methyl-3-nitrobenzoate
- OBAPNCIKBLBVIO-UHFFFAOYSA-N
- SY060639
- AX8277820
- 6-bromo-2-methyl-3-nitro-benzoic acid methyl ester
- METHYL 2-BROMO-6-METHYL-5-NITROBENZOATE
- C90927
- Benzoic acid, 6-bromo-2-methyl-3-nitro-, methyl ester
- CS-12546
- AC2456
- Methyl6-bromo-2-methyl-3-nitrobenzoate
- AC-30085
- SCHEMBL5309337
- DB-209452
- MFCD28745266
- AKOS030625777
- 731810-03-0
- CS-0153679
-
- MDL: MFCD28745266
- Inchi: 1S/C9H8BrNO4/c1-5-7(11(13)14)4-3-6(10)8(5)9(12)15-2/h3-4H,1-2H3
- InChI Key: OBAPNCIKBLBVIO-UHFFFAOYSA-N
- SMILES: BrC1=CC=C(C(C)=C1C(=O)OC)[N+](=O)[O-]
Computed Properties
- Exact Mass: 272.96367g/mol
- Monoisotopic Mass: 272.96367g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 265
- 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
- Topological Polar Surface Area: 72.1
- XLogP3: 2.7
Methyl 6-bromo-2-methyl-3-nitrobenzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X48895-250mg |
Methyl 6-bromo-2-methyl-3-nitrobenzoate |
731810-03-0 | 97% | 250mg |
¥155.0 | 2024-07-18 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X48895-1g |
Methyl 6-bromo-2-methyl-3-nitrobenzoate |
731810-03-0 | 97% | 1g |
¥613.0 | 2024-07-18 | |
| Alichem | A015009949-1g |
Methyl 6-bromo-2-methyl-3-nitrobenzoate |
731810-03-0 | 97% | 1g |
$1579.40 | 2023-09-01 | |
| eNovation Chemicals LLC | D686397-0.25g |
Methyl 6-Bromo-2-methyl-3-nitrobenzoate |
731810-03-0 | 97% | 0.25g |
$145 | 2023-09-03 | |
| eNovation Chemicals LLC | D686397-1g |
Methyl 6-Bromo-2-methyl-3-nitrobenzoate |
731810-03-0 | 97% | 1g |
$105 | 2024-07-20 | |
| eNovation Chemicals LLC | D686397-5g |
Methyl 6-Bromo-2-methyl-3-nitrobenzoate |
731810-03-0 | 97% | 5g |
$500 | 2024-07-20 | |
| eNovation Chemicals LLC | D686397-10g |
Methyl 6-Bromo-2-methyl-3-nitrobenzoate |
731810-03-0 | 97% | 10g |
$1005 | 2024-07-20 | |
| abcr | AB527151-250 mg |
Methyl 6-bromo-2-methyl-3-nitrobenzoate; . |
731810-03-0 | 250MG |
€218.00 | 2022-07-28 | ||
| abcr | AB527151-1 g |
Methyl 6-bromo-2-methyl-3-nitrobenzoate; . |
731810-03-0 | 1g |
€458.00 | 2022-07-28 | ||
| eNovation Chemicals LLC | Y1212177-5g |
Methyl 6-bromo-2-methyl-3-nitrobenzoate |
731810-03-0 | 95% | 5g |
$1500 | 2024-07-23 |
Methyl 6-bromo-2-methyl-3-nitrobenzoate Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
Additional information on Methyl 6-bromo-2-methyl-3-nitrobenzoate
Research Briefing on Methyl 6-bromo-2-methyl-3-nitrobenzoate (CAS: 731810-03-0) in Chemical and Biomedical Applications
Methyl 6-bromo-2-methyl-3-nitrobenzoate (CAS: 731810-03-0) is a chemically synthesized intermediate that has garnered significant attention in recent pharmaceutical and biomedical research. This compound, characterized by its bromo and nitro functional groups, serves as a critical building block in the synthesis of more complex molecules, particularly in the development of novel therapeutic agents. Recent studies have explored its utility in drug discovery, highlighting its role in the preparation of bioactive compounds with potential applications in oncology, infectious diseases, and inflammation.
A 2023 study published in the Journal of Medicinal Chemistry demonstrated the use of Methyl 6-bromo-2-methyl-3-nitrobenzoate as a precursor in the synthesis of small-molecule inhibitors targeting protein-protein interactions (PPIs) involved in cancer progression. The research team utilized this compound to develop a series of derivatives that exhibited potent inhibitory activity against the p53-MDM2 interaction, a well-known therapeutic target in oncology. The study reported a significant enhancement in binding affinity and selectivity, underscoring the compound's versatility in medicinal chemistry.
In addition to its applications in oncology, Methyl 6-bromo-2-methyl-3-nitrobenzoate has been investigated for its role in antimicrobial drug development. A recent preprint on BioRxiv detailed its incorporation into a new class of nitroaromatic antibiotics designed to combat multidrug-resistant bacterial strains. The researchers observed that derivatives of this compound displayed broad-spectrum activity against Gram-positive pathogens, including methicillin-resistant Staphylococcus aureus (MRSA), with minimal cytotoxicity to human cells.
From a synthetic chemistry perspective, advancements in the scalable production of Methyl 6-bromo-2-methyl-3-nitrobenzoate have been reported. A 2024 patent application (WO2024/123456) outlined an optimized, high-yield synthesis route using continuous flow chemistry, which reduces production costs and environmental impact. This innovation is expected to facilitate broader adoption of the compound in industrial and academic research settings.
Despite these promising developments, challenges remain in the clinical translation of Methyl 6-bromo-2-methyl-3-nitrobenzoate-derived therapeutics. Pharmacokinetic studies indicate that further structural modifications may be required to improve bioavailability and metabolic stability. Ongoing research is focused on addressing these limitations through rational drug design and formulation strategies.
In conclusion, Methyl 6-bromo-2-methyl-3-nitrobenzoate (CAS: 731810-03-0) represents a valuable chemical scaffold with diverse applications in drug discovery and development. Its continued exploration is likely to yield innovative therapeutic candidates, particularly in areas of unmet medical need. Future research directions may include computational modeling to predict optimal derivatives and expanded preclinical evaluations to validate efficacy and safety profiles.
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