R-95845
R-95845 is a non-nucleoside HIV-1 reverse transcriptase (RT) inhibitor. R-95845 is specific to HIV-1 RT and acts as a functionally non-competitive inhibitor with respect to nucleotide incorporation. R-95845 binds to the non-nucleoside inhibitor binding pocket of HIV-1 RT in a butterfly-like conformation, forms hydrogen bonds with Tyr 188 and Val 189, and engages in hydrophobic interactions with surrounding residues. R-95845 can be used in studies related to HIV-1 infection and acquired immunodeficiency syndrome.
For research use only. We do not sell to patients.
- CAS No.: 163435-77-6
- Formula: C17H16Br2N2O2
- Molecular Weight:440.14
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Storage:
Please store the product under the recommended conditions in the Certificate of Analysis.
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Biological Activity
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Chemical Information
- Protocols
- Purity & Documentation
- References
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Help & FAQs
Biological Activity
Description
In Vitro
R-95845 (α‑APA R‑95845) binds to the NNIBP of HIV-1 RT p66/p51 heterodimer in a butterfly-like conformation, inducing specific structural rearrangements in the enzyme and forming both hydrogen-bonding and hydrophobic interactions with surrounding residues, as characterized by a 2.8 Å resolution crystal structure with an R-factor of 25.5% and a free R-factor of 36.0%[1].
R-95845 (α‑APA R‑95845) binds tightly to a hydrophobic pocket near the polymerase active site of purified HIV-1 p66/p51 RT, forming hydrogen bonds and aromatic interactions with specific p66 residues, and induces global and local conformational changes to the enzyme that likely underpin its inhibitory activity[2].
R-95845 (α‑APA R‑95845) forms close contacts with group M HIV-1 subtype B BH10 RT via residues Tyr-181 and Val-179, as observed through crystal structure analysis[3].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only. Further protocols information, click here.
Chemical Information
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CAS No. 163435-77-6
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Molecular Weight 440.14
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Formula C17H16Br2N2O2
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SMILES
[C@@H](NC1=C(C(C)=O)C=CC(C)=C1)(C(N)=O)C2=C(Br)C=CC=C2Br
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
Please store the product under the recommended conditions in the Certificate of Analysis.
Protocols
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Research Protocol for Infectious Diseases
Infectious-disease experiments test how pathogens interact with host barriers, innate immune receptors, inflammatory signaling, pathogen replication, and tissue injury; pattern-recognition receptors such as TLRs, RIG-I-like receptors, NOD-like receptors, and inflammasomes detect microbial molecules and activate NF-κB, interferon, and cytokine responses. The central hypothesis is that infection severity reflects the balance between pathogen burden and host response: protective inflammation restricts pathogen growth, whereas excessive or mislocalized inflammation contributes to tissue damage and disease phenotype. Unresolved questions include which host pathways are protective versus pathogenic, why some infection models fail to translate to human disease, and which combined readouts best predict clinically relevant infection outcomes.
Purity & Documentation
References
[1]. Ding J, et al. Structure of HIV-1 RT/TIBO R 86183 complex reveals similarity in the binding of diverse nonnucleoside inhibitors. Nature structural biology. 1995 May;2(5):407-15. [Content Brief]
[2]. Ding J, et al. Structure of HIV-1 reverse transcriptase in a complex with the non-nucleoside inhibitor alpha-APA R 95845 at 2.8 A resolution. Structure. 1995 Apr 15;3(4):365-79. [Content Brief]
[3]. Quiñones-Mateu ME, et al. Characterization of the reverse transcriptase of a human immunodeficiency virus type 1 group O isolate. Virology. 1997 Sep 29;236(2):364-73. [Content Brief]
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
R-95845 Related Classifications
HY-187616 Related Classifications
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Keywords
- R-95845
- 163435-77-6
- R95845
- R 95845
- HIV
- Reverse Transcriptase
- cellular polymerases
- HIV-1 p66/p51 heterodimer
- HIV-1 RT
- nonnucleoside inhibitor-binding pocket
- HIV-1 reverse transcriptase
- HIV-1 infection
- simian immunodeficiency virus RT
- HIV-2 RT
- group M HIV-1 subtype B BH10 RT
- acquired immunodeficiency syndrome
- Inhibitor
- inhibitor
- inhibit