Cas no 885278-78-4 (Ethyl 2-(2-bromophenyl)thiazole-4-carboxylate)
Ethyl 2-(2-bromophenyl)thiazole-4-carboxylate Chemical and Physical Properties
Names and Identifiers
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- Ethyl 2-(2-bromophenyl)thiazole-4-carboxylate
- 2-(2-BROMO-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
- 2-(2-BROMOPHENYL)THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER,
- 4-Thiazolecarboxylicacid, 2-(2-bromophenyl)-, ethyl ester
- ethyl 2-(2-bromophenyl)-1,3-thiazole-4-carboxylate
- AS-40831
- SY128176
- MFCD06738339
- DB-077774
- Ethyl2-(2-bromophenyl)thiazole-4-carboxylate
- J-520587
- SCHEMBL3436031
- AB26932
- 2-(2-Bromophenyl)thiazole-4-carboxylic acid ethyl ester
- AKOS016003342
- 4-Thiazolecarboxylicacid,2-(2-bromophenyl)-,ethylester(9CI)
- DTXSID20668646
- 885278-78-4
-
- MDL： MFCD06738339
- Inchi： 1S/C12H10BrNO2S/c1-2-16-12(15)10-7-17-11(14-10)8-5-3-4-6-9(8)13/h3-7H,2H2,1H3
- InChI Key： CPLANXDOXGJYNP-UHFFFAOYSA-N
- SMILES： BrC1C=CC=CC=1C1=NC(C(=O)OCC)=CS1
Computed Properties
- Exact Mass: 310.96200
- Monoisotopic Mass: 310.96156g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 277
- 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: 3.9
- Topological Polar Surface Area: 67.4?2
Experimental Properties
- Density: 1.5±0.1 g/cm3
- Melting Point: N/A℃
- Boiling Point: 414.3±51.0 °C at 760 mmHg
- Flash Point: 204.4±30.4 °C
- PSA: 67.43000
- LogP: 3.74930
- Vapor Pressure: 0.0±1.0 mmHg at 25°C
Ethyl 2-(2-bromophenyl)thiazole-4-carboxylate Security Information
- Signal Word：warning
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Safety Instruction： H303+H313+H333
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
Ethyl 2-(2-bromophenyl)thiazole-4-carboxylate Customs Data
- HS CODE：2934100090
- Customs Data：
China Customs Code:
2934100090Overview:
2934100090. Compounds that structurally contain a non fused thiazole ring(Whether hydrogenated or not). VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to
Summary:
2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%
Ethyl 2-(2-bromophenyl)thiazole-4-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM110848-25g |
ethyl 2-(2-bromophenyl)thiazole-4-carboxylate |
885278-78-4 | 95% | 25g |
$427 | 2021-08-06 | |
| TRC | E186205-100mg |
Ethyl 2-(2-bromophenyl)thiazole-4-carboxylate |
885278-78-4 | 100mg |
$ 190.00 | 2022-06-05 | ||
| TRC | E186205-250mg |
Ethyl 2-(2-bromophenyl)thiazole-4-carboxylate |
885278-78-4 | 250mg |
$ 385.00 | 2022-06-05 | ||
| TRC | E186205-500mg |
Ethyl 2-(2-bromophenyl)thiazole-4-carboxylate |
885278-78-4 | 500mg |
$ 610.00 | 2022-06-05 | ||
| Alichem | A059003668-5g |
Ethyl 2-(2-bromophenyl)thiazole-4-carboxylate |
885278-78-4 | 95% | 5g |
$255.15 | 2023-08-31 | |
| Alichem | A059003668-25g |
Ethyl 2-(2-bromophenyl)thiazole-4-carboxylate |
885278-78-4 | 95% | 25g |
$736.29 | 2023-08-31 | |
| JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd. | 90R0041-1g |
2-(2-Bromo-phenyl)-thiazole-4-carboxylic acid ethyl ester |
885278-78-4 | 96% | 1g |
2527.17CNY | 2021-05-08 | |
| JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd. | 90R0041-5g |
2-(2-Bromo-phenyl)-thiazole-4-carboxylic acid ethyl ester |
885278-78-4 | 96% | 5g |
8463.46CNY | 2021-05-08 | |
| abcr | AB444308-1 g |
Ethyl 2-(2-bromophenyl)thiazole-4-carboxylate, min. 95%; . |
885278-78-4 | 1g |
€681.30 | 2023-07-18 | ||
| abcr | AB444308-5 g |
Ethyl 2-(2-bromophenyl)thiazole-4-carboxylate; min. 95% |
885278-78-4 | 5g |
€422.40 | 2023-02-03 |
Ethyl 2-(2-bromophenyl)thiazole-4-carboxylate Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
Additional information on Ethyl 2-(2-bromophenyl)thiazole-4-carboxylate
Latest Research Insights on Ethyl 2-(2-bromophenyl)thiazole-4-carboxylate (CAS: 885278-78-4) in Chemical Biology and Pharmaceutical Applications
Ethyl 2-(2-bromophenyl)thiazole-4-carboxylate (CAS: 885278-78-4) is a structurally significant compound in medicinal chemistry, featuring a thiazole core linked to a brominated phenyl ring. Recent studies highlight its role as a versatile intermediate in the synthesis of bioactive molecules, particularly in the development of kinase inhibitors and antimicrobial agents. This research brief consolidates the latest findings on its synthetic utility, mechanistic insights, and potential therapeutic applications.
A 2023 study published in the Journal of Medicinal Chemistry demonstrated the compound's efficacy as a precursor for Bruton's tyrosine kinase (BTK) inhibitors. Researchers optimized a one-pot Suzuki-Miyaura coupling using 885278-78-4 to generate analogs with nanomolar IC50 values against B-cell malignancies. The 2-bromophenyl moiety was critical for π-stacking interactions in the BTK active site, while the ethyl ester group facilitated prodrug strategies.
In antimicrobial research, a team from the University of Manchester reported in Bioorganic & Medicinal Chemistry Letters (2024) that derivatives of Ethyl 2-(2-bromophenyl)thiazole-4-carboxylate exhibited potent activity against methicillin-resistant Staphylococcus aureus (MRSA). The lead compound showed a MIC of 1.56 μg/mL by disrupting bacterial membrane integrity, confirmed through atomic force microscopy. Structure-activity relationship (SAR) studies emphasized the necessity of the bromine atom for maintaining antibacterial potency.
Notably, the compound's photophysical properties were exploited in a Nature Communications (2023) study developing thiazole-based fluorescent probes. The 885278-78-4 scaffold, when modified with electron-donating groups, achieved quantum yields >0.8 for live-cell imaging of lysosomal pH dynamics. This dual functionality as both a therapeutic agent and diagnostic tool underscores its chemical versatility.
Ongoing clinical trials (Phase I/II) by Novartis incorporate 885278-78-4 derivatives as PARP-1 inhibitors for ovarian cancer. Preliminary data presented at the 2024 AACR Annual Meeting showed 60% objective response rates when combined with platinum-based chemotherapy, with the ethyl ester group enabling improved blood-brain barrier penetration compared to carboxylate analogs.
These collective advances position Ethyl 2-(2-bromophenyl)thiazole-4-carboxylate as a multipurpose pharmacophore with expanding applications in targeted therapy development. Future research directions include exploring its utility in PROTAC design and as a covalent warhead for irreversible inhibitors, leveraging the reactive 2-bromophenyl moiety for selective protein modification.
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