NBD-11021
NBD-11021 is a HIV-1 entry antagonist and CD4 antagonist. NBD-11021 binds to the Phe43 cavity of HIV-1 gp120 and competitively blocks the gp120-CD4 interaction. NBD-11021 exhibits broad-spectrum inhibitory activity against 56 HIV-1 Env pseudoviruses of different subtypes, with an IC50 of 0.6-5.3 μM. NBD-11021 inhibits CCR5- and CXCR4-tropic HIV-1, primary HIV-1, drug-resistant HIV-1, HIV-1 Env-mediated cell fusion and intercellular viral transmission. NBD-11021 can be used in studies related to HIV-1 gp120, viral entry and HIV infection.
For research use only. We do not sell to patients.
- CAS No.: 1427304-84-4
- Formula: C22H25ClN4O2S
- Molecular Weight:444.98
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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
Cellular Effect
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Cell Line
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Type | Value | Description | References |
|---|---|---|---|---|
| MT2 | CC50 |
24.8 μM
Compound: 89
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Cytotoxicity against human MT2 cells incubated for 4 days by XTT assay
Cytotoxicity against human MT2 cells incubated for 4 days by XTT assay
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[PMID: 28266845] |
| MT2 | IC50 |
0.85 μM
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Inhibited HIV-1IIIB replication in MT-2 cells.
Inhibited HIV-1IIIB replication in MT-2 cells.
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28266845 |
| TZM | CC50 |
23.6 μM
Compound: 89
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Cytotoxicity against human TZM-bl cells incubated for 3 days by XTT assay
Cytotoxicity against human TZM-bl cells incubated for 3 days by XTT assay
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[PMID: 28266845] |
| MT2 | CC50 |
24.8 μM
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Reduced MT-2 cell viability and exhibited cytotoxicity.
Reduced MT-2 cell viability and exhibited cytotoxicity.
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28266845 |
In Vitro
NBD-11021 (compound 89) inhibits CCR5-tropic HIV-1ADA and CXCR4-tropic HIV-1HXB2 infection in U87-CD4-CCR5 and U87-CD4-CXCR4 cells, respectively, with IC50 values of 1.7 μM and 2.4 μM[3].
NBD-11021 exhibits broad-spectrum inhibitory activity against 56 HIV-1 Env pseudoviruses covering multiple clades, with an IC50 range of 0.6-5.3 μM and a mean IC50 of 2.38 μM[3].
NBD-11021 inhibits cell-to-cell transmission of CXCR4-tropic and CCR5-tropic HIV-1 in a co-culture system of GHOST X4/R5 target cells and chronically infected effector cells[3].
NBD-11021 inhibits single-cycle infection of HIV-1HXB2 in TZM-bl cells and multi-cycle infection of HIV-1IIIB in MT-2 cells, with IC50 values of 2.2 μM and 0.85 μM, respectively[1].
NBD-11021 (pretreated for 1 h followed by 24 h of co-culture) inhibits HIV-1 Env-mediated cell fusion between MAGI-CCR5 and HL2/3 cells, with an IC50 of 6.1 μM[1].
NBD-11021 inhibits laboratory-adapted, primary, and drug-resistant HIV-1 strains, including AZT-resistant strains, protease inhibitor-resistant strains, and gp41 fusion inhibitor-resistant strains, in MT-2 cells or PBMC[3].
NBD-11021 (pretreated for 1 h; co-cultured for 24 h) inhibits HIV-1 Env-mediated cell fusion between MAGI-CCR5 and HL2/3 cells, with an IC50 of 9.8 μM[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. 1427304-84-4
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Molecular Weight 444.98
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Formula C22H25ClN4O2S
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SMILES
O=C(C1=CC=C(C2=CC=C(Cl)C=C2)N1)NC(C3=NC(C)=C(CO)S3)C4NCCCC4
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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.
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Cell Cytotoxicity Assay
Cytotoxicity assays are usually based on the assessment of cell membrane damage, which can also be indirectly detected by measuring cell viability. Detection methods include MTT assay, CKK-8 assay, LDH assay and ATP assay, etc.
Purity & Documentation
References
[1]. Curreli F, et al. Synthesis, Antiviral Potency, in Vitro ADMET, and X-ray Structure of Potent CD4 Mimics as Entry Inhibitors That Target the Phe43 Cavity of HIV-1 gp120. Journal of medicinal chemistry. 2017 Apr 13;60(7):3124-3153. [Content Brief]
[3]. Curreli F, et al. Structure-Based Design of a Small Molecule CD4-Antagonist with Broad Spectrum Anti-HIV-1 Activity. Journal of medicinal chemistry. 2015 Sep 10;58(17):6909-6927. [Content Brief]
[4]. Curreli F, et al. Preclinical Optimization of gp120 Entry Antagonists as anti-HIV-1 Agents with Improved Cytotoxicity and ADME Properties through Rational Design, Synthesis, and Antiviral Evaluation. Journal of medicinal chemistry. 2020 Feb 27;63(4):1724-1749. [Content Brief]
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
NBD-11021 Related Classifications
HY-117855 Related Classifications
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