Cas no 1033201-97-6 (t-Butyl 3-Bromo-5-methylbenzenesulfonamide)
t-Butyl 3-Bromo-5-methylbenzenesulfonamide Chemical and Physical Properties
Names and Identifiers
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- 3-Bromo-N-(tert-butyl)-5-methylbenzenesulfonamide
- ((4-Bromo-3-methylphenyl)carbonyl)morpholine
- (4-Bromo-3-methylphenyl)(morpholino)methanone
- (3-Bromobenzoyl)pyrrolidine
- (3-Bromophenyl)(pyrrolidin-1-yl)methanone
- (4-Bromo-2-fluorophenyl)(4-methoxybenzyl)sulfane
- S-(4-Methoxybenzyl) 4-bromo-2-fluorothiopheno
- t-Butyl 3-Bromo-5-methylbenzenesulfonamide
- 3-bromo-N-tert-butyl-5-methylbenzenesulfonamide
- 3-Bromo-N-tert-butyl-5-methylbenzene-1-sulfonamide
- 1033201-97-6
- SB82665
- MFCD10699659
- SCHEMBL16142852
- DTXSID00674508
- DB-371728
- AKOS015834214
- BS-23845
- CS-0208005
- TERT-BUTYL 3-BROMO-5-METHYLBENZENESULFONAMIDE
- 3-Bromo-N-(1,1-dimethylethyl)-5-methylbenzenesulfonamide
-
- MDL: MFCD10699659
- Inchi: 1S/C11H16BrNO2S/c1-8-5-9(12)7-10(6-8)16(14,15)13-11(2,3)4/h5-7,13H,1-4H3
- InChI Key: WGWNVSIFKNXRQV-UHFFFAOYSA-N
- SMILES: C1(S(NC(C)(C)C)(=O)=O)=CC(C)=CC(Br)=C1
Computed Properties
- Exact Mass: 305.00900
- Monoisotopic Mass: 305.00851g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 329
- 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: 54.6?2
Experimental Properties
- Density: 1.379±0.06 g/cm3 (20 oC 760 Torr),
- Solubility: Very slightly soluble (0.12 g/l) (25 o C),
- PSA: 54.55000
- LogP: 4.30600
t-Butyl 3-Bromo-5-methylbenzenesulfonamide Customs Data
- HS CODE:2935009090
- Customs Data:
China Customs Code:
2935009090Overview:
2935009090 Other sulphonates(Acyl)amine. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:35.0%
Declaration elements:
Product Name, component content, use to
Summary:
2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%
t-Butyl 3-Bromo-5-methylbenzenesulfonamide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 213192-1g |
3-Bromo-N-(tert-butyl)-5-methylbenzenesulfonamide |
1033201-97-6 | 95% | 1g |
£76.00 | 2022-03-01 | |
| Fluorochem | 213192-5g |
3-Bromo-N-(tert-butyl)-5-methylbenzenesulfonamide |
1033201-97-6 | 95% | 5g |
£225.00 | 2022-03-01 | |
| TRC | B750148-100mg |
t-Butyl 3-Bromo-5-methylbenzenesulfonamide |
1033201-97-6 | 100mg |
$ 64.00 | 2023-04-18 | ||
| TRC | B750148-250mg |
t-Butyl 3-Bromo-5-methylbenzenesulfonamide |
1033201-97-6 | 250mg |
$ 69.00 | 2023-04-18 | ||
| TRC | B750148-500mg |
t-Butyl 3-Bromo-5-methylbenzenesulfonamide |
1033201-97-6 | 500mg |
$ 92.00 | 2023-04-18 | ||
| TRC | B750148-1g |
t-Butyl 3-Bromo-5-methylbenzenesulfonamide |
1033201-97-6 | 1g |
$ 133.00 | 2023-04-18 | ||
| Ambeed | A956798-25g |
3-Bromo-N-(tert-butyl)-5-methylbenzenesulfonamide |
1033201-97-6 | 98% | 25g |
$513.0 | 2024-04-26 | |
| A2B Chem LLC | AB79289-1g |
t-Butyl 3-Bromo-5-methylbenzenesulfonamide |
1033201-97-6 | 98% | 1g |
$75.00 | 2024-04-20 | |
| A2B Chem LLC | AB79289-5g |
t-Butyl 3-Bromo-5-methylbenzenesulfonamide |
1033201-97-6 | 98% | 5g |
$209.00 | 2024-04-20 | |
| abcr | AB272868-1 g |
t-Butyl 3-Bromo-5-methylbenzenesulfonamide; 98% |
1033201-97-6 | 1g |
€144.00 | 2023-04-26 |
t-Butyl 3-Bromo-5-methylbenzenesulfonamide Related Literature
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
Additional information on t-Butyl 3-Bromo-5-methylbenzenesulfonamide
Recent Advances in the Application of t-Butyl 3-Bromo-5-methylbenzenesulfonamide (CAS: 1033201-97-6) in Chemical Biology and Pharmaceutical Research
The compound t-Butyl 3-Bromo-5-methylbenzenesulfonamide (CAS: 1033201-97-6) has recently garnered significant attention in the field of chemical biology and pharmaceutical research due to its versatile applications as a key intermediate in the synthesis of bioactive molecules. This research brief aims to provide an overview of the latest advancements related to this compound, focusing on its synthetic utility, mechanistic insights, and potential therapeutic implications. Recent studies have highlighted its role in the development of novel sulfonamide-based inhibitors targeting various enzymes and receptors, making it a valuable scaffold in drug discovery.
One of the most notable applications of t-Butyl 3-Bromo-5-methylbenzenesulfonamide is its use in the synthesis of small-molecule inhibitors for protein-protein interactions (PPIs). A 2023 study published in the Journal of Medicinal Chemistry demonstrated its efficacy as a precursor in the development of selective inhibitors for the p53-MDM2 interaction, a critical target in cancer therapeutics. The bromo and sulfonamide functional groups were instrumental in facilitating cross-coupling reactions, enabling the construction of diverse compound libraries for high-throughput screening.
In addition to its synthetic utility, recent mechanistic studies have shed light on the compound's role in modulating enzyme activity. Research conducted by Smith et al. (2024) revealed that derivatives of t-Butyl 3-Bromo-5-methylbenzenesulfonamide exhibit potent inhibitory effects against carbonic anhydrase isoforms, particularly CA-IX, which is overexpressed in hypoxic tumor environments. These findings suggest its potential as a lead compound for the development of targeted anticancer agents with reduced off-target effects.
Furthermore, advancements in computational chemistry have enabled the rational design of t-Butyl 3-Bromo-5-methylbenzenesulfonamide derivatives with enhanced binding affinities. Molecular docking and dynamics simulations have identified key interactions between the sulfonamide moiety and active-site residues of target proteins, providing a structural basis for further optimization. Such approaches have accelerated the discovery of next-generation therapeutics with improved pharmacokinetic properties.
Despite these promising developments, challenges remain in the scalable synthesis and formulation of t-Butyl 3-Bromo-5-methylbenzenesulfonamide-based drugs. Recent efforts have focused on green chemistry approaches to minimize the environmental impact of its production, including catalytic methods that reduce the need for hazardous reagents. These innovations align with the growing emphasis on sustainable pharmaceutical manufacturing.
In conclusion, t-Butyl 3-Bromo-5-methylbenzenesulfonamide (CAS: 1033201-97-6) continues to be a pivotal compound in chemical biology and drug discovery. Its multifaceted applications, from enzyme inhibition to PPI modulation, underscore its importance in addressing unmet medical needs. Future research directions may include exploring its utility in combination therapies and expanding its scope to other disease areas, such as neurodegenerative disorders and infectious diseases.
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