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ZL0580

Alias: ZL-0580; ZL 0580
Cat No.:V37769 Purity: ≥98%
ZL0580 is a structural analog of ZL0590 that induces apparent suppression of HIV by selectively binding to the BRD4 domain of BD1.
ZL0580
ZL0580 Chemical Structure CAS No.: 2377151-10-3
Product category: New2
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
ZL0580 is a structural analog of ZL0590 that induces apparent suppression of HIV by selectively binding to the BRD4 domain of BD1. ZL0580 induces HIV repression by inhibiting Tat transactivation and transcription elongation and inducing repressive chromatin structures at the HIV promoter.
Biological Activity I Assay Protocols (From Reference)
ln Vitro
HIV transcription is inhibited with low transcription when 8 μM of virally activated PBMC from HIV-infected patients are used for 2 days [1]. Treatment with ZL0580 (10 μM) increases HIV or baseline transcription through PMA [1]. [1]
Cell Assay
Cell Viability Assay[1]
Cell Types: HIV-infected human CD4+ T cells.
Tested Concentrations: 0-8μM.
Incubation Duration: 2 days.
Experimental Results: Suppression of HIV in primary CD4+ T cells. A single treatment (8 μM) resulted in an almost complete loss of productive HIV infection in CD4+ T cells.

RT-PCR[1]
Cell Types: PBMC from viremic HIV-infected patients.
Tested Concentrations: 8μM.
Incubation Duration: 2 days.
Experimental Results: HIV transcription was inhibited ex vivo in PBMCs from viremic HIV-infected individuals.

Cytotoxicity assay [1]
Cell Types: J-Lat cells.
Tested Concentrations: 0-80 μM.
Incubation Duration: 1 day and 3 days.
Experimental Results: Concentrations below 40 μM did not cause significant cell death. Treatment of J-Lat cells with ZL0580 (10 μM) also did not result in significant cell death at days 2, 7, and 14 compared to NC in PMA-activated and unstimulated cells.
References

[1]. Structure-guided drug design identifies a BRD4-selective small molecule that suppresses HIV. J Clin Invest. 2019 Jul 22;129(8):3361-3373.

[2]. Block-And-Lock Strategies to Cure HIV Infection. Viruses. 2020 Jan 10;12(1). pii: E84.

[3]. Validation of the epigenetic reader bromodomain-containing protein 4 (BRD4) as a therapeutic target for treatment of airway remodeling. Drug Discov Today. 2020 Jan;25(1):126-132.

These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C25H23F3N4O4S
Molecular Weight
532.534734964371
Exact Mass
532.139
CAS #
2377151-10-3
PubChem CID
139524511
Appearance
White to off-white solid powder
LogP
3.9
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
6
Heavy Atom Count
37
Complexity
889
Defined Atom Stereocenter Count
1
SMILES
S(C1C=CC(=CC=1)NC(NC1C=CC(C(F)(F)F)=CC=1)=O)(N1CCC[C@H]1C(NC1C=CC=CC=1)=O)(=O)=O
InChi Key
DKFYGSWCJGXEJY-QFIPXVFZSA-N
InChi Code
InChI=1S/C25H23F3N4O4S/c26-25(27,28)17-8-10-19(11-9-17)30-24(34)31-20-12-14-21(15-13-20)37(35,36)32-16-4-7-22(32)23(33)29-18-5-2-1-3-6-18/h1-3,5-6,8-15,22H,4,7,16H2,(H,29,33)(H2,30,31,34)/t22-/m0/s1
Chemical Name
(2S)-N-phenyl-1-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfonylpyrrolidine-2-carboxamide
Synonyms
ZL-0580; ZL 0580
HS Tariff Code
2934.99.9001
Storage

Powder      -20°C    3 years

                     4°C     2 years

In solvent   -80°C    6 months

                  -20°C    1 month

Shipping Condition
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
Solubility Data
Solubility (In Vitro)
DMSO : ~250 mg/mL (~469.46 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.08 mg/mL (3.91 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 + to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL.
Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 1.8778 mL 9.3891 mL 18.7783 mL
5 mM 0.3756 mL 1.8778 mL 3.7557 mL
10 mM 0.1878 mL 0.9389 mL 1.8778 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

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An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
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  • Enter 10 in the Concentration box and choose the correct unit (mM)
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  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
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  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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Calculation results

Working concentration mg/mL;

Method for preparing DMSO stock solution mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.

Method for preparing in vivo formulation:Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.

(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
             (2) Be sure to add the solvent(s) in order.

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