| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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NITD008 is a novel, potent and specific antiviral agent acting as a flaviviruse inhibitor and inhibits Dengue Virus Type 2 (DENV-2) with an EC50 of 0.64 μM. It has the potential for treatment of flavivirus infections.
| ln Vitro |
NITD008 exhibits efficacy against various different viruses, including as the Poisson virus, West Nile virus, dengue virus (DENV), and yellow fever virus. With an EC50 value of 0.64 μM, NITD008 suppresses DENV-2 in a dose-responsive manner; treatment with 9 μM of the chemical can reduce viral titers by more than 104 times [1]. With an EC50 value of 0.11 μM, NITD008 also suppresses the luciferase reporter replicon of the hepatitis C virus (HCV, genotype 1b), a member of the genus Hepatitis C virus [1].
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| ln Vivo |
NITD008 has good pharmacokinetic qualities and is orally bioavailable. When prepared using 1.5 equimolar quantities of 6 N HCl, 1 N NaOH (pH adjusted to 3.5), and 100 mM citrate buffer (pH 3.5), NITD008 showed optimum pharmacokinetic characteristics. NITD008 has a long elimination half-life (t1/2=4.99 h) following intravenous administration due to its high volume of distribution (3.71 L/kg) and low systemic clearance (31.11 mL/min/kg). NITD008 is quickly absorbed (peak plasma concentration time = 0.5 h) upon po dose, with a maximum plasma concentration of 3 μM and a 48% bioavailability. NITD008 at a dose of 1 mg/kg did not lower mortality in mice immediately following viral infection; however, therapy at a dose of 3 mg/kg offered partial protection, and treatment at a dose of ≥10 mg/kg totally prevented the virus from killing the mice. NITD008 lowers cytokine increases, controls viremia peaks, and averts death [1].
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| References |
| Molecular Formula |
C13H14N4O4
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|---|---|
| Molecular Weight |
290.275
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| Exact Mass |
290.101
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| CAS # |
1044589-82-3
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| PubChem CID |
44633776
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| Appearance |
White to gray solid powder
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| Density |
1.6±0.1 g/cm3
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| Boiling Point |
631.8±55.0 °C at 760 mmHg
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| Flash Point |
335.9±31.5 °C
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| Vapour Pressure |
0.0±1.9 mmHg at 25°C
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| Index of Refraction |
1.740
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| LogP |
1.07
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
21
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| Complexity |
455
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| Defined Atom Stereocenter Count |
4
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| SMILES |
C#C[C@]1([C@@H]([C@H](O[C@H]1N2C=CC3=C(N=CN=C32)N)CO)O)O
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| InChi Key |
NKRAIOQPSBRMOV-NRMKKVEVSA-N
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| InChi Code |
InChI=1S/C13H14N4O4/c1-2-13(20)9(19)8(5-18)21-12(13)17-4-3-7-10(14)15-6-16-11(7)17/h1,3-4,6,8-9,12,18-20H,5H2,(H2,14,15,16)/t8-,9-,12-,13-/m1/s1
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| Chemical Name |
(2R,3R,4R,5R)-2-(4-Aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-ethynyl-5-(hydroxymethyl)oxolane-3,4-diol
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| Synonyms |
NITD 008NITD008 NITD-008
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| HS Tariff Code |
2934.99.9001
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| 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)
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| Solubility (In Vitro) |
DMSO : ≥ 50 mg/mL (~172.25 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (8.61 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 25.0 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. Solubility in Formulation 2: ≥ 2.5 mg/mL (8.61 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (8.61 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.4449 mL | 17.2247 mL | 34.4495 mL | |
| 5 mM | 0.6890 mL | 3.4449 mL | 6.8899 mL | |
| 10 mM | 0.3445 mL | 1.7225 mL | 3.4449 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.
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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