Darunavir
Darunavir structure
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Common Name | Darunavir | ||
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| CAS Number | 206361-99-1 | Molecular Weight | 547.664 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | N/A | |
| Molecular Formula | C27H37N3O7S | Melting Point | 74-76ºC | |
| MSDS | N/A | Flash Point | N/A | |
Use of DarunavirDarunavir(TMC114) is an HIV protease inhibitor.IC50 Value: Target: HIV ProteaseDarunavir HIV-1 antiviral structurally is similar to amprenavir and it is second generation HIV-1-protease inhibitor. Darunavir is a drug used to treat HIV infection. It is in the protease inhibitor class. Prezista is an OARAC recommended treatment option for treatment-naive and treatment-experienced adults and adolescents. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | darunavir |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Darunavir(TMC114) is an HIV protease inhibitor.IC50 Value: Target: HIV ProteaseDarunavir HIV-1 antiviral structurally is similar to amprenavir and it is second generation HIV-1-protease inhibitor. Darunavir is a drug used to treat HIV infection. It is in the protease inhibitor class. Prezista is an OARAC recommended treatment option for treatment-naive and treatment-experienced adults and adolescents. |
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| Related Catalog |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.3±0.1 g/cm3 |
|---|---|
| Melting Point | 74-76ºC |
| Molecular Formula | C27H37N3O7S |
| Molecular Weight | 547.664 |
| Exact Mass | 547.235229 |
| PSA | 148.80000 |
| LogP | 3.94 |
| Index of Refraction | 1.620 |
| InChIKey | CJBJHOAVZSMMDJ-HEXNFIEUSA-N |
| SMILES | CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12)S(=O)(=O)c1ccc(N)cc1 |
| Storage condition | -20°C Freezer |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
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| RIDADR | NONH for all modes of transport |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Systematic evaluation of commercially available ultra-high performance liquid chromatography columns for drug metabolite profiling: optimization of chromatographic peak capacity.
J. Chromatogr. A. 1374 , 122-33, (2014) The present study investigated the practical use of modern ultra-high performance liquid chromatography (UHPLC) separation techniques for drug metabolite profiling, aiming to develop a widely applicab... |
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The fate of ritonavir in the presence of darunavir.
Int. J. Pharm. 475(1-2) , 214-26, (2014) This study was the first investigation into the potential of a fixed dose combination of ritonavir and darunavir in the form of dispersible powders prepared by spray drying. A common polymer (hydroxyp... |
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Solid self-nanoemulsifying drug delivery system (S-SNEDDS) of darunavir for improved dissolution and oral bioavailability: In vitro and in vivo evaluation.
Eur. J. Pharm. Sci. 74 , 1-10, (2015) The current study was aimed to investigate the potential of solid self-nanoemulsifying drug delivery system (S-SNEDDS) composed of Capmul MCM C8 (oil), Tween 80 (surfactant) and Transcutol P (co-surfa... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| (3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate |
| Carbamic acid, N-[(1S,2R)-3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester |
| Darunavir |
| TMC-114 |
| (3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of darunavir? |
| A: Molecular formula of darunavir is C27H37N3O7S. |
| Q: What is the LogP of darunavir? |
| A: LogP of darunavir is 3.94. |
| Q: What is the InChIKey of darunavir? |
| A: InChIKey of darunavir is CJBJHOAVZSMMDJ-HEXNFIEUSA-N. |
| Q: What is the English name of darunavir? |
| A: The English name of darunavir is darunavir. |
| Q: What English synonyms does darunavir have? |
| A: English synonyms of darunavir: (3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate, Carbamic acid, N-[(1S,2R)-3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester, Darunavir, TMC-114, (3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate. |
| Q: What is the molecular weight of darunavir? |
| A: Molecular weight of darunavir is 547.664. |
| Q: What is the melting point of darunavir? |
| A: Melting point of darunavir is 74-76ºC. |
| Q: What are the storage conditions for darunavir? |
| A: Storage conditions for darunavir: -20°C Freezer. |
| Q: What is the polar surface area (PSA) of darunavir? |
| A: Polar surface area (PSA) of darunavir is 148.80000. |
| Q: What is the SMILES notation of darunavir? |
| A: SMILES notation of darunavir is CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12)S(=O)(=O)c1ccc(N)cc1. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Henan Tianfu Chemical Co., Ltd. |