1. Anti-infection
  2. HIV
  3. NBD-14189

NBD-14189 is a potent HIV-1 entry antagonist with an IC50 of 89 nM against the HIV-1HXB2 pseudovirus. NBD-14189 binds to HIV-1 gp120 and shows potent antiviral activity (EC50<200 nM).

For research use only. We do not sell to patients.

NBD-14189 Chemical Structure

NBD-14189 Chemical Structure

CAS No. : 2234273-72-2

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Based on 1 publication(s) in Google Scholar

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Description

NBD-14189 is a potent HIV-1 entry antagonist with an IC50 of 89 nM against the HIV-1HXB2 pseudovirus. NBD-14189 binds to HIV-1 gp120 and shows potent antiviral activity (EC50<200 nM)[1][2].

IC50 & Target[1]

HIV-1

 

Cellular Effect
Cell Line Type Value Description References
MT2 CC50
22.1 μM
Compound: 55; NBD-14189
Cytotoxicity against human MT2 cells assessed as reduction in cell viability incubated for 4 days by XTT assay
Cytotoxicity against human MT2 cells assessed as reduction in cell viability incubated for 4 days by XTT assay
[PMID: 29860061]
PBMC CC50
38.7 μM
Compound: 55; NBD-14189
Cytotoxicity against human PBMC cells assessed as reduction in cell viability incubated for 1 hr followed by complete medium addition and measured after 48 hrs by XTT assay
Cytotoxicity against human PBMC cells assessed as reduction in cell viability incubated for 1 hr followed by complete medium addition and measured after 48 hrs by XTT assay
[PMID: 29860061]
TZM CC50
21.9 μM
Compound: NBD-14189; Ref 1
Cytotoxicity against human TZM-bl cells incubated for 3 days by MTS assay
Cytotoxicity against human TZM-bl cells incubated for 3 days by MTS assay
[PMID: 32031803]
TZM CC50
21.9 μM
Compound: 55; NBD-14189
Cytotoxicity against human TZM-bl cells assessed as reduction in cell viability incubated for 3 days by XTT assay
Cytotoxicity against human TZM-bl cells assessed as reduction in cell viability incubated for 3 days by XTT assay
[PMID: 29860061]
In Vitro

NBD-14189 has anti-HIV-1 activity (IC50=0.089 μM) and cytotoxicity (CC50=21.9 μM) in single-cycle (TZM-bl cells) assays. NBD-14189 has anti-HIV-1 activity (IC50=0.18 μM) and cytotoxicity (CC50=22.1 μM) in multi-cycle (MT-2 cells) assays[1].
NBD-14189 (0-50 μM) prevents HIV-1 mediated cell-cell fusion with an IC50 of 9.4 μM in indicator cells TZM-bl cells were cocultured with Env- and Tat-expressing HL2/3 cells[1].
NBD-14189 shows weak or no inhibition of the hERG current, with an IC50 of 3.0 μM, respectively[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Molecular Weight

428.40

Formula

C18H16F4N4O2S

CAS No.
Appearance

Solid

Color

White to off-white

SMILES

FC1=C(C(F)(F)F)C=CC(C2=CC=C(C(N[C@@H](CN)C3=NC(CO)=CS3)=O)N2)=C1

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

4°C, sealed storage, away from moisture and light

*In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture and light)

Solvent & Solubility
In Vitro: 

DMSO : 100 mg/mL (233.43 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

Preparing
Stock Solutions
Concentration Solvent Mass 1 mg 5 mg 10 mg
1 mM 2.3343 mL 11.6713 mL 23.3427 mL
5 mM 0.4669 mL 2.3343 mL 4.6685 mL
View the Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture and light). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

  • Molarity Calculator

  • Dilution Calculator

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for in vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

  • Protocol 1

    Add each solvent one by one:  10% DMSO    90% (20% SBE-β-CD in Saline)

    Solubility: ≥ 2.5 mg/mL (5.84 mM); Clear solution

    This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).

    Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.

    Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
  • Protocol 2

    Add each solvent one by one:  10% DMSO    90% Corn Oil

    Solubility: ≥ 2.5 mg/mL (5.84 mM); Clear solution

    This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.

    Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL Corn oil, and mix evenly.

In Vivo Dissolution Calculator
Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
(per animal)

g

Dosing volume
(per animal)

μL

Number of animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Please enter your animal formula composition:
%
DMSO +
+
%
Tween-80 +
%
Saline
Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).
Calculation results:
Working solution concentration: mg/mL
Method for preparing stock solution: mg drug dissolved in μL  DMSO (Stock solution concentration: mg/mL).

*In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture and light)

The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only. If necessary, please contact MedChemExpress (MCE).
Method for preparing in vivo working solution for animal experiments: Take μL DMSO stock solution, add μL . μL , mix evenly, next add μL Tween 80, mix evenly, then add μL Saline.
 If the continuous dosing period exceeds half a month, please choose this protocol carefully.
Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.
Purity & Documentation
References

Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture and light). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Optional Solvent Concentration Solvent Mass 1 mg 5 mg 10 mg 25 mg
DMSO 1 mM 2.3343 mL 11.6713 mL 23.3427 mL 58.3567 mL
5 mM 0.4669 mL 2.3343 mL 4.6685 mL 11.6713 mL
10 mM 0.2334 mL 1.1671 mL 2.3343 mL 5.8357 mL
15 mM 0.1556 mL 0.7781 mL 1.5562 mL 3.8904 mL
20 mM 0.1167 mL 0.5836 mL 1.1671 mL 2.9178 mL
25 mM 0.0934 mL 0.4669 mL 0.9337 mL 2.3343 mL
30 mM 0.0778 mL 0.3890 mL 0.7781 mL 1.9452 mL
40 mM 0.0584 mL 0.2918 mL 0.5836 mL 1.4589 mL
50 mM 0.0467 mL 0.2334 mL 0.4669 mL 1.1671 mL
60 mM 0.0389 mL 0.1945 mL 0.3890 mL 0.9726 mL
80 mM 0.0292 mL 0.1459 mL 0.2918 mL 0.7295 mL
100 mM 0.0233 mL 0.1167 mL 0.2334 mL 0.5836 mL
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NBD-14189 Related Classifications

Help & FAQs
  • Do most proteins show cross-species activity?

    Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

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NBD-14189
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