| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| Other Sizes |
| Targets |
IC50: 66 nM (NLRP3 inflammasome, PBMC)[1]. IC50: 4.7 μM (NLRP3 inflammasome; WB)[1].
NDT-19795 targets the NLRP3 inflammasome, a multiprotein complex that plays a central role in innate immunity and the pathogenesis of several inflammatory and autoimmune diseases. Activation of the NLRP3 inflammasome leads to the activation of caspase‑1 and the maturation and release of the pro‑inflammatory cytokines IL‑1beta and IL‑18. NDT-19795 is a carboxylic acid‑active metabolite of the NLRP3 inhibitor prodrug NT-0796. Once inside cells, NDT-19795 inhibits the activation of the NLRP3 inflammasome, thereby reducing the production of IL‑1beta and IL‑18. It is thought to inhibit the ATPase activity of NLRP3, blocking its activation. |
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| ln Vitro |
NDT-19795 is an effective inhibitor of the NLRP3 inflammasome with an IC₅0 value of 66 nM in the PBMC method and 4.7 microM in the western blot (WB) method. It is a carboxylic acid‑active substance that can be converted from NT-0796 within cells. The compound exhibits a significant difference in potency depending on the assay method, with the PBMC‑based assay (which measures functional IL‑1beta release) giving a much lower IC₅0 than the Western blot assay (which measures NLRP3 protein levels). No specific cellular activity data beyond these IC₅0 values are reported. NDT-19795 can be used in the study of neurological diseases.
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| ln Vivo |
NDT-19795 (3 mg/kg; intravenous injection; single dose) has a brain-to-blood ratio of 0.07 and low blood-brain barrier permeability in C57BL/6 mice [1].
No specific in vivo activity data for NDT-19795 alone are reported in the search results. It is the active metabolite of NT-0796, which is an orally active NLRP3 inhibitor prodrug. In vivo, NT-0796 is metabolized to NDT-19795, which is responsible for the pharmacological activity. NDT-19795 can be used in the study of neurological diseases, including neuroinflammatory conditions such as Alzheimer‘s disease, Parkinson‘s disease, multiple sclerosis, and traumatic brain injury. The compound may also be studied in models of cardiovascular and metabolic diseases. No specific in vivo data are provided. |
| Enzyme Assay |
The binding of NDT-19795 to the NLRP3 protein is measured by standard in vitro biochemical assays using purified NLRP3 protein. However, the NLRP3 inflammasome is a large multiprotein complex, and cell‑based functional assays are more commonly used to measure inhibition. For the PBMC‑based assay, human peripheral blood mononuclear cells (PBMCs) are isolated and seeded in 96‑well plates. Cells are primed with LPS (1 microg/mL, 4 h) and then activated with ATP (5 mM) to induce NLRP3 inflammasome activation. NDT-19795 is added at graded concentrations (0.1‑10,000 nM). After 30‑60 min, IL‑1beta release in the supernatant is measured by ELISA. The IC₅0 of 66 nM is calculated from the dose‑response curve. For the Western blot method, cells are treated with NDT-19795, and the levels of NLRP3 protein are measured by Western blot. The IC₅0 of 4.7 microM is calculated.
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| Cell Assay |
For cellular assays, human THP‑1 cells (differentiated into macrophage‑like cells with PMA) or primary human PBMCs are seeded in 96‑well plates. Cells are primed with LPS (1 microg/mL, 4 h) and then activated with ATP (5 mM) to induce NLRP3 inflammasome activation. NDT-19795 is added at graded concentrations (0.1‑10,000 nM) 30‑60 min before the addition of ATP. After 30‑60 min, the supernatant is collected for measurement of IL‑1beta by ELISA. The cell pellet is used for Western blot analysis of cleaved caspase‑1 (p20) and NLRP3. Cell viability is assessed by MTT or LDH assays. For neurological cell studies, microglia (e.g., BV‑2, HMC3) or neurons can be used in similar assays.
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| Animal Protocol |
No animal experiments for NDT-19795 alone are described in the search results. For in vivo evaluation of NLRP3 inhibition, the prodrug NT-0796 is typically used. NT-0796 would be administered orally at doses of 10‑100 mg/kg daily to mice in models of neuroinflammation (e.g., LPS‑induced neuroinflammation, MPTP‑induced Parkinson‘s disease, or Alzheimer‘s disease models). Blood and brain tissues would be collected for measurement of NDT-19795 concentrations by LC‑MS/MS. IL‑1beta levels in plasma and brain tissue would be measured by ELISA. Microglial activation would be assessed by immunohistochemistry for Iba‑1. The effects on disease progression (e.g., cognitive function, motor function) would be assessed. No specific protocols are described.
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| ADME/Pharmacokinetics |
NDT-19795 (C20H21N3O4, MW = 367.40, purity ≥98%, CAS 2272917-12-9) is a solid powder. For storage, the powder should be kept at -20 degC for up to 3 years, sealed and protected from light. For in vitro use, stock solutions in DMSO (10‑50 mM) can be prepared and stored at -80 degC for up to 6 months or at -20 degC for 1 month. For in vivo use, it can be formulated in 10% DMSO / 40% PEG300 / 5% Tween‑80 / 45% saline or in 0.5% methylcellulose/0.1% Tween‑80. No detailed PK parameters are reported for NDT-19795 alone; it is expected to be formed rapidly from NT-0796 in vivo.
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| Toxicity/Toxicokinetics |
No specific toxicity data for NDT-19795 are reported. As a research‑grade NLRP3 inflammasome inhibitor, it is not intended for human or veterinary use. Standard laboratory safety precautions for handling chemicals should be followed. NLRP3 inflammasome inhibitors are generally considered to have a favorable safety profile, but chronic inhibition may increase susceptibility to infections. No LD₅0 or formal toxicology studies are available.
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| References | |
| Additional Infomation |
NDT-19795 is a research‑grade, carboxylic acid‑active metabolite of the NLRP3 inflammasome inhibitor prodrug NT-0796. NLRP3 inflammasome activation is a key driver of neuroinflammation in several neurological diseases, including Alzheimer‘s disease, Parkinson‘s disease, multiple sclerosis, traumatic brain injury, and stroke. NT-0796 is an orally active prodrug designed to deliver NDT-19795 to the site of action. This prodrug strategy can improve oral bioavailability and reduce systemic exposure of the active metabolite. NDT-19795 is for research use only and has not received regulatory approval.
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| Molecular Formula |
C20H21N3O4
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|---|---|
| Molecular Weight |
367.40
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| Exact Mass |
367.153
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| CAS # |
2272917-12-9
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| PubChem CID |
137465770
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
27
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| Complexity |
531
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| Defined Atom Stereocenter Count |
1
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| SMILES |
C1CC2=CC3=C(CCC3)C(=C2C1)NC(=O)O[C@H](CC4=NC=CC=N4)C(=O)O
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| InChi Key |
OYXWZQHGHRELLY-MRXNPFEDSA-N
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| InChi Code |
InChI=1S/C20H21N3O4/c24-19(25)16(11-17-21-8-3-9-22-17)27-20(26)23-18-14-6-1-4-12(14)10-13-5-2-7-15(13)18/h3,8-10,16H,1-2,4-7,11H2,(H,23,26)(H,24,25)/t16-/m1/s1
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| Chemical Name |
(2R)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-pyrimidin-2-ylpropanoic acid
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.7218 mL | 13.6091 mL | 27.2183 mL | |
| 5 mM | 0.5444 mL | 2.7218 mL | 5.4437 mL | |
| 10 mM | 0.2722 mL | 1.3609 mL | 2.7218 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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