NBD-14189
Based on 1 Customer Validation
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).
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- Purity : 99.84%
- CAS No.: 2234273-72-2
- 화학식: C18H16F4N4O2S
- 분자량:428.40
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보관:
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)
To place orders, for customer services and technical support, please contact: MedChemExpress USA
Tel: 609-228-6898 E-mail: [email protected] [email protected]
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Biological Activity
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Chemical Information
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용액&용해도
- Protocol
- 순도&문서
- References
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Help & FAQs
Biological Activity
제품 설명
IC50 & Target
[1]|
HIV-1 |
Cellular Effect
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Cell Line
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Type | Value | Description | References |
|---|---|---|---|---|
| MT2 | CC50 |
22.1 μM
Compound: 55; NBD-14189
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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
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[PMID: 29860061] |
| PBMC | CC50 |
38.7 μM
Compound: 55; NBD-14189
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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
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[PMID: 29860061] |
| TZM | CC50 |
21.9 μM
Compound: 55; NBD-14189
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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
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[PMID: 29860061] |
| TZM | CC50 |
21.9 μM
Compound: NBD-14189; Ref 1
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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
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[PMID: 32031803] |
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.
Chemical Information
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CAS No. 2234273-72-2
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Appearance Solid
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분자량 428.40
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화학식 C18H16F4N4O2S
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Color White to off-white
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SMILES
FC1=C(C(F)(F)F)C=CC(C2=CC=C(C(N[C@@H](CN)C3=NC(CO)=CS3)=O)N2)=C1
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선적
Room temperature in continental US; may vary elsewhere.
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보관
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)
용액&용해도
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)
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.
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.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
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.
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.
In Vivo Dissolution Calculator
Please enter the basic information of animal experiments:
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Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Please enter your animal formula composition:
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%DMSO +
Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
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%+
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+%Tween-80 + +
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%Saline +
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).
Working solution concentration: 0.22 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)
1. Take μL DMSO stock solution;
2. Add μL .
μL , mix evenly;
3. Then add μL Tween 80, mix evenly;
4. Then add μL
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.
순도&문서
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Data Sheet (273 KB)
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SDS (252 KB)
- English - EN (252 KB)
- Français - FR (252 KB)
- Deutsch - DE (252 KB)
- Norwegian - NO (252 KB)
- Español - ES (252 KB)
- Swedish - SV (252 KB)
- Italian - IT (252 KB)
- Korean - KR (252 KB)
- Portuguese - PT (252 KB)
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Handling Instructions (2659 KB)
References
[1]. Francesca Curreli, et al. Structure-based lead optimization to improve antiviral potency and ADMET properties of phenyl-1H-pyrrole-carboxamide entry inhibitors targeted to HIV-1 gp120. Eur J Med Chem. 2018 Jun 25;154:367-391. [Content Brief]
[2]. Natalie Losada, et al. HIV-1 gp120 Antagonists Also Inhibit HIV-1 Reverse Transcriptase by Bridging the NNRTI and NRTI Sites. J Med Chem. 2021 Nov 25;64(22):16530-16540. [Content Brief]
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 |
NBD-14189 Related Classifications
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