NITD-2

Alias: NITD2; NITD 2; NITD-2
Cat No.:V41105 Purity: ≥98%
NITD-2 is an inhibitor of the dengue virus (DENV) polymerase that prevents the DENV RdRp protein from causing RNA elongation.
NITD-2 Chemical Structure CAS No.: 1197896-79-9
Product category: DNA(RNA) Synthesis
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
NITD-2 is an inhibitor of the dengue virus (DENV) polymerase that prevents the DENV RdRp protein from causing RNA elongation. The permeability of NITD-2's cell membrane is low.
Biological Activity I Assay Protocols (From Reference)
ln Vitro
NITD-2 prevents the creation of new RNA [1]. The lack of antiviral action shown by NITD-2 in cell culture was caused by inadequate cell penetration[1].
References
[1]. Pornwaratt Niyomrattanakit, et al. Inhibition of dengue virus polymerase by blocking of the RNA tunnel. J Virol. 2010 Jun;84(11):5678-86.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C23H19N3O4S
Molecular Weight
433.48
Exact Mass
433.11
Elemental Analysis
C, 63.73; H, 4.42; N, 9.69; O, 14.76; S, 7.40
CAS #
1197896-79-9
Appearance
Solid powder
SMILES
C1=CC=C(C=C1)CN2C=C(C=N2)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=CC=C4C(=O)O
InChi Key
PHQOBFYGHBBCBV-UHFFFAOYSA-N
InChi Code
InChI=1S/C23H19N3O4S/c27-23(28)21-11-4-5-12-22(21)25-31(29,30)20-10-6-9-18(13-20)19-14-24-26(16-19)15-17-7-2-1-3-8-17/h1-14,16,25H,15H2,(H,27,28)
Chemical Name
2-[[3-(1-benzylpyrazol-4-yl)phenyl]sulfonylamino]benzoic acid
Synonyms
NITD2; NITD 2; NITD-2
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 : ~100 mg/mL (~230.7 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.77 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 2.3069 mL 11.5346 mL 23.0691 mL
5 mM 0.4614 mL 2.3069 mL 4.6138 mL
10 mM 0.2307 mL 1.1535 mL 2.3069 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?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • 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:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • 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
Instructions to calculate molar mass (molecular weight) of a chemical compound:
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

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  • The answer appears in the Volume (to add to vial) box
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.

Biological Data
  • Photoreactive inhibitor of DENV-2 NS5 RdRp. (Α) Structure of the photoreactive inhibitor NITD-29. J Virol . 2010 Jun;84(11):5678-86.
  • MS analysis of UV-cross-linked DENV-2 NS5 and NITD-29 complex. J Virol . 2010 Jun;84(11):5678-86.
  • Binding site of NITD-29 in the DENV RdRp domain. J Virol . 2010 Jun;84(11):5678-86.
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