Introduction：Basic information about CAS 269055-15-4|Etravirine (TMC125), including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Etravirine (TMC125) |
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| CAS Number | 269055-15-4 | Molecular Weight | 435.277 |
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| Density | 1.6±0.1 g/cm3 | Boiling Point | 637.4±65.0 °C at 760 mmHg |
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| Molecular Formula | C20H15BrN6O | Melting Point | 265ºC (dec.) |
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| MSDS | / | Flash Point | 339.3±34.3 °C |
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Names
| Name | etravirine |
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| Synonym | More Synonyms |
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Etravirine (TMC125) BiologicalActivity
| Description | Etravirine is a non-nucleoside reverse transcriptase inhibitor (NNRTI) used for the treatment of HIV. |
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| Related Catalog | Signaling Pathways >>Anti-infection >>HIVSignaling Pathways >>Anti-infection >>Reverse TranscriptaseResearch Areas >>Infection |
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| In Vitro | TMC125 is highly active against wild-type HIV-1 (50% effective concentration [EC50]=1.4 to 4.8 nM) and shows some activity against HIV-2 (EC50=3.5 μM). TMC125 also inhibits a series of HIV-1 group M subtypes and circulating recombinant forms and a group O virus. TMC125 has activity for 19 viruses with EC50 of < 5 nM[1]. |
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| In Vivo | Etravirine has a high genetic barrier to the development of resistance. In phase IIb trials in treatment-experienced patients, including those infected with virus resistant to NNRTIs and protease inhibitors (PIs), TMC125 is active against HIV resistant to currently available NNRTIs, with a similar tolerability profile to that of the control group[2]. |
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| References | [1]. Andries, K., et al. TMC125, a novel next-generation nonnucleoside reverse transcriptase inhibitor active against nonnucleoside reverse transcriptase inhibitor-resistant human immunodeficiency virus type 1. Antimicrob Agents Chemother, 2004. 48(12): p. 468 [2]. Lazzarin, A., et al. Efficacy and safety of TMC125 (etravirine) in treatment-experienced HIV-1-infected patients in DUET-2: 24-week results from a randomised, double-blind, placebo-controlled trial. Lancet, 2007. 370(9581): p. 39-48. |
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Chemical & Physical Properties
| Density | 1.6±0.1 g/cm3 |
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| Boiling Point | 637.4±65.0 °C at 760 mmHg |
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| Melting Point | 265ºC (dec.) |
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| Molecular Formula | C20H15BrN6O |
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| Molecular Weight | 435.277 |
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| Flash Point | 339.3±34.3 °C |
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| Exact Mass | 434.049072 |
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| PSA | 120.64000 |
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| LogP | 4.19 |
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| Vapour Pressure | 0.0±1.9 mmHg at 25°C |
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| Index of Refraction | 1.703 |
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| InChIKey | PYGWGZALEOIKDF-UHFFFAOYSA-N |
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| SMILES | Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc(N)c1Br |
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| Storage condition | -20°C Freezer |
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Safety Information
Synonyms
| Benzonitrile, 4-[[6-amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethyl- |
| etravirine |
| 4-({6-Amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl}oxy)-3,5-dimethylbenzonitrile |
| tmc 125 |
