Cas no 269055-15-4 (Etravirine)
Etravirine Chemical and Physical Properties
Names and Identifiers
-
- Etravirine
- 4-[[6-amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3, 5-dimethylbenzonitrile
- Etravirine (TMC125)
- 4-[[6-amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3, 5 –dimethylbenzonitrile
- R165335
- R-165335
- TMC 125
- TMC-125
- Aryl halide chemistry informer library compound X11
- 4-[[6-Amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile
- DTXCID40103903
- 4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin-4-ylamino)-3,5-dimethylbenzonitrile
- DB06414
- cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-
- 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE
- R165335-TMC125
- HE-0088
- 4-[6-azanyl-5-bromanyl-2-[(4-cyanophenyl)amino]pyrimidin-4-yl]oxy-3,5-dimethyl-benzenecarbonitrile
- CHEMBL308954
- FT-0668443
- 4-[6-amino-5-bromo-2-(4-cyano-phenylamino)-pyrimidin-4-yloxy]-3,5-dimethyl-benzonitrile
- A818671
- 4-[[6-amino-5-bromo-2-(4-cyanoanilino)-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile
- AC-8503
- DTXSID30181412
- AM20080899
- AKOS015896355
- Etravine; Etravirine
- J05AG04
- A26965
- BCP03562
- 4-((6-Amino-5-bromo-2-((4-cyanophenyl)amino)pyrimidin-4-yl)oxy)-3,5-dimethylbenzonitrile
- SCHEMBL52691
- PYGWGZALEOIKDF-UHFFFAOYSA-N
- ETRAVIRINE [MART.]
- EX-A4282
- 65B
- 4-[[4-amino 5-bromo-6-(4-cyano-2,6-dimethylphenyloxy)-2-pyrimidinyl]amino]benzonitrile
- 4-[[4-amino-5-bromo-6-(4-cyano-2,6-dimethylphenyloxy)-2-pyrimidinyl]-amino]benzonitrile
- ETRAVIRINE [VANDF]
- s3080
- Etravirina
- NS00008301
- ETRAVIRINE [ORANGE BOOK]
- Benzonitrile, 4-[[6-amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethyl-
- MFCD09837879
- Intelence
- EN300-23542752
- J-513179
- 4-[[6-amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethyl-benzonitrile
- 4-((6-amino-5-bromo-2-((4-cyanophenyl) amino) pyrimidin-4-yl) oxy)-3, 5-dimethylbenzonitrile
- Etravirine [INN]
- 4-({6-amino-5-bromo-2-[(4-
- 4-[6-amino-5-bromo-2-(4-cyanoanilino)pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile
- 4-[[6-Amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethyl -benzonitrile
- 3m8p
- ETRAVIRINE [EMA EPAR]
- ETRAVIRINE [JAN]
- ETRAVIRINE (MART.)
- Etravirine [USAN:INN:BAN:JAN]
- CCG-269074
- ETRAVIRINE [MI]
- 269055-15-4
- D04112
- Q414762
- Etravirine- Bio-X
- SY097013
- 4-(6-Amino-5-bromo-2-(4-cyanoanilino)pyrimidin-4-yloxy)-3,5-dimethylbenzonitrile
- Benzonitrile, 4-((6-amino-5-bromo-2-((4-cyanophenyl)amino)-4-pyrimidinyl)oxy)-3,5-dimethyl-
- Etravirine (JAN/USAN/INN)
- AB01566873_01
- Intelence(TM)
- 4-((6-amino-5-bromo-2-((4-cyanophenyl)amino)-4-pyrimidinyl)oxy)-3,5-dimethyl-benzonitrile
- UNII-0C50HW4FO1
- TMC125
- FT-0668442
- DAPY deriv
- NCGC00345885-02
- 4-(6-amino-5-bromo-2-(4-cyanophenylamino)pyrimidin-4-yloxy)-3,5-dimethylbenzonitrile
- Diaminopyrimidine deriv
- SR-01000944895
- CHEBI:63589
- GTPL12675
- 0C50HW4FO1
- 4-[6-amino-5-bromo-2-(4-cyanoanilino)pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile
- PB32778
- BCP9000006
- TMC-125/R-165335
- HY-90005
- HMS3651P20
- BA164437
- 4-[[4-amino-5-bromo-6-(4-cyano-2,6-dimethylphenyloxy)-2-pyrimidinyl]amino]benzonitrile
- etravirinum
- ETRAVIRINE [USAN]
- BDBM50103642
- CS-0435
- TMC125 cpd
- BCP0726000193
- Benzonitrile,4-[[6-amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethyl-
- Intelence (TN)
- ETRAVIRINE [WHO-DD]
- R 165335
- SW219570-1
- Etravirine-d8
- FT-0658058
- SR-01000944895-1
- NCGC00345885-04
- DB-067700
- DB-262849
- SBI-0654096.0001
- 4-[6-Amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl ]oxy-3,5-dimethyl-benzonitrile
- BRD-K74717603-001-02-2
- 394729-17-0
- GLXC-04866
-
- MDL： MFCD09837879
- Inchi： 1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
- InChI Key： PYGWGZALEOIKDF-UHFFFAOYSA-N
- SMILES： BrC1=C(N)N=C(N=C1OC1C(C)=CC(C#N)=CC=1C)NC1C=CC(C#N)=CC=1
Computed Properties
- Exact Mass: 434.04900
- Monoisotopic Mass: 434.04907g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 28
- Rotatable Bond Count: 4
- Complexity: 609
- 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
- Surface Charge: 0
- Tautomer Count: 9
- XLogP3: 4.5
- Topological Polar Surface Area: 121?2
Experimental Properties
- Color/Form: No data available
- Melting Point: 246-251?°C
- Boiling Point: 637.4±65.0 °C at 760 mmHg
- Flash Point: 339.3±34.3 °C
- PSA: 120.64000
- LogP: 5.37156
- Sensitiveness: Sensitive to heat and light
Etravirine Security Information
- Signal Word：Warning
- Hazard Statement： H315; H319; H335
- Warning Statement： P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
- Hazardous Material transportation number：UN 3077 9 / PGIII
- Safety Instruction： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Storage Condition：Powder -20°C 3 years ? 4°C 2 years In solvent -80°C 6 months ? -20°C 1 month
Etravirine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | E126710-100mg |
Etravirine |
269055-15-4 | ≥95% | 100mg |
￥310.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | E126710-1g |
Etravirine |
269055-15-4 | ≥95% | 1g |
￥2028.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | E126710-25mg |
Etravirine |
269055-15-4 | ≥95% | 25mg |
￥208.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | E126710-5mg |
Etravirine |
269055-15-4 | ≥95% | 5mg |
￥114.90 | 2023-09-03 | |
| S e l l e c k ZHONG GUO | S3080-10mM (1mL in DMSO) |
Etravirine (TMC125) |
269055-15-4 | 99.97% | 10mM (1mL in DMSO) |
￥794.43 | 2023-09-15 | |
| S e l l e c k ZHONG GUO | S3080-5mg |
Etravirine (TMC125) |
269055-15-4 | 99.97% | 5mg |
￥577.17 | 2023-09-15 | |
| S e l l e c k ZHONG GUO | S3080-25mg |
Etravirine (TMC125) |
269055-15-4 | 99.97% | 25mg |
￥2220.07 | 2023-09-15 | |
| S e l l e c k ZHONG GUO | S3080-50mg |
Etravirine (TMC125) |
269055-15-4 | 99.97% | 50mg |
￥3021.96 | 2023-09-15 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R017068-25mg |
Etravirine |
269055-15-4 | 95% | 25mg |
￥139 | 2024-05-24 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R017068-5mg |
Etravirine |
269055-15-4 | 95% | 5mg |
￥83 | 2024-05-24 |
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Etravirine Related Literature
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Chevonne Reynolds,Charles B. de Koning,Stephen C. Pelly,Willem A. L. van Otterlo,Moira L. Bode Chem. Soc. Rev. 2012 41 4657
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2. Medicinal chemistry strategies for discovering antivirals effective against drug-resistant virusesYue Ma,Estrella Frutos-Beltrán,Dongwei Kang,Christophe Pannecouque,Erik De Clercq,Luis Menéndez-Arias,Xinyong Liu,Peng Zhan Chem. Soc. Rev. 2021 50 4514
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Hugo Vite-Caritino,Oscar Méndez-Lucio,Héctor Reyes,Alberto Cabrera,Daniel Chávez,José L. Medina-Franco RSC Adv. 2016 6 2119
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Xi Wang,Yuanxun Wang,Xuemin Li,Zhenyang Yu,Chun Song,Yunfei Du RSC Med. Chem. 2021 12 1650
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T. Kjellman,X. Xia,V. Alfredsson,A. E. Garcia-Bennett J. Mater. Chem. B 2014 2 5265
Additional information on Etravirine
Recent Advances in Etravirine (269055-15-4) Research: A Comprehensive Update
Etravirine (CAS: 269055-15-4), a second-generation non-nucleoside reverse transcriptase inhibitor (NNRTI), continues to be a critical component in the treatment of HIV-1 infection, particularly in cases of drug-resistant strains. Recent studies have focused on optimizing its pharmacokinetic properties, exploring novel formulations, and investigating its efficacy in combination therapies. This research brief synthesizes the latest findings from peer-reviewed publications and clinical trials to provide a comprehensive overview of Etravirine's current status in the field of chemical biology and medicine.
A 2023 study published in the Journal of Antimicrobial Chemotherapy investigated the structural modifications of Etravirine to enhance its blood-brain barrier penetration. Researchers utilized molecular docking simulations and in vitro models to demonstrate that subtle alterations to the 269055-15-4 scaffold could significantly improve CNS bioavailability while maintaining potent antiviral activity. These findings have important implications for treating HIV-associated neurocognitive disorders, where current NNRTIs often show limited efficacy.
Clinical research has recently focused on Etravirine's role in long-acting antiretroviral regimens. Phase II trials presented at the 2024 Conference on Retroviruses and Opportunistic Infections (CROI) showed promising results for a novel nanocrystal formulation of Etravirine, achieving sustained plasma concentrations for up to 8 weeks after a single intramuscular injection. This advancement could revolutionize treatment adherence strategies, particularly for patients with complex medication schedules.
Emerging data from pharmacogenomic studies have revealed new insights into Etravirine's metabolism pathways. Whole-genome sequencing analyses identified previously unknown polymorphisms in CYP2C19 that significantly influence 269055-15-4 clearance rates. These findings, published in Pharmacogenomics Journal (2024), suggest the potential for personalized dosing algorithms based on genetic profiling, potentially reducing adverse effects while maintaining therapeutic efficacy.
Recent in vitro studies have explored Etravirine's potential beyond HIV treatment. Research in Nature Chemical Biology (2023) demonstrated that 269055-15-4 exhibits unexpected inhibitory effects on certain cancer-associated kinases, opening new avenues for drug repurposing. While preliminary, these findings warrant further investigation into Etravirine's potential as a multi-target therapeutic agent.
The development of Etravirine-resistant HIV strains remains an area of active investigation. A 2024 study in PLoS Pathogens characterized novel resistance mutations through deep mutational scanning, providing crucial data for next-generation NNRTI design. These findings emphasize the importance of continued surveillance and the development of backup compounds within the 269055-15-4 chemical class.
Manufacturing improvements for Etravirine have also been reported, with several patents filed in 2023-2024 describing more efficient synthetic routes for 269055-15-4 production. These process chemistry advancements promise to reduce production costs while maintaining high purity standards, potentially improving global access to this essential antiretroviral medication.
In conclusion, recent research on Etravirine (269055-15-4) demonstrates significant progress across multiple fronts, from basic science to clinical applications. The compound continues to reveal new therapeutic potentials while maintaining its critical role in HIV management. Future studies will likely focus on expanding its clinical utility through innovative formulations and exploring its emerging applications in other disease areas.
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