BMS-538203
Modify Date: 2024-01-02 18:23:39
BMS-538203 structure
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Common Name | BMS-538203 | ||
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| CAS Number | 543730-41-2 | Molecular Weight | 269.22600 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C12H12FNO5 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
Use of BMS-538203BMS-538203 is a highly efficient HIV integrase inhibitor and antiviral agent.IC50 value:Target: HIV integraseIn the current study we demonstrate a hit-to-clinical candidate pathway that resulted in 50- and 2000-fold improvements in enzyme-inhibition and antiviral activity without an increase in molecular weight or change in molecular topology. The original hit , 1 (mw = 268) was optimized in a stepwise manner. Potential covalent protein-binding moieties were removed by reducing the number of the ketone groups. High enzyme inhibition activity was achieved by optimizing the aryl-portion of the molecule. Protein binding was reduced by replacing the standard amide by the corresponding methyl-hydroxamide. This eventually led to the discovery of BMS-538203 compound 2 (mw = 269) a highly efficient inhibitor and antiviral agent. |
| Name | 3-[(4-fluorobenzyl)methoxycarbamoyl]-2-hydroxyacrylic acid |
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| Synonym | More Synonyms |
| Description | BMS-538203 is a highly efficient HIV integrase inhibitor and antiviral agent.IC50 value:Target: HIV integraseIn the current study we demonstrate a hit-to-clinical candidate pathway that resulted in 50- and 2000-fold improvements in enzyme-inhibition and antiviral activity without an increase in molecular weight or change in molecular topology. The original hit , 1 (mw = 268) was optimized in a stepwise manner. Potential covalent protein-binding moieties were removed by reducing the number of the ketone groups. High enzyme inhibition activity was achieved by optimizing the aryl-portion of the molecule. Protein binding was reduced by replacing the standard amide by the corresponding methyl-hydroxamide. This eventually led to the discovery of BMS-538203 compound 2 (mw = 269) a highly efficient inhibitor and antiviral agent. |
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| Related Catalog | |
| References |
[1]. Methods and compositions for treating hiv infection. RU patent 2367439. |
| Molecular Formula | C12H12FNO5 |
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| Molecular Weight | 269.22600 |
| Exact Mass | 269.07000 |
| PSA | 87.07000 |
| LogP | 1.24220 |
| BMS-538203 |