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| Targets |
Ned-19 targets the NAADP receptor and two-pore channels (TPCs). It acts as an antagonist of NAADP, a calcium-mobilizing second messenger. It binds with high affinity to the NAADP receptor to inhibit NAADP-dependent lysosomal/endolysosomal calcium release without affecting IP3 or cADPR-mediated calcium signals. By blocking TPCs, it inhibits NAADP-induced calcium release.
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| ln Vitro |
In vitro, Ned-19 is a NAADP antagonist and TPC blocker. It suppresses the calcium signal in human umbilical vein endothelial cells (HUVEC). It increases the spontaneous acrosome reaction rate. These activities demonstrate its ability to modulate calcium signaling pathways. Its effects on calcium signals have been demonstrated in various cell types.
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| ln Vivo |
In vivo, Ned-19 alleviates anti-CD3 mAb-induced intestinal inflammation. It suppresses the rat aorta relaxation in response to low histamine concentrations. These findings suggest its potential for treating inflammatory conditions. However, specific details of in vivo efficacy studies are not extensively detailed in the available literature.
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| Enzyme Assay |
The in vitro binding/functional assay for Ned-19 measures its ability to inhibit NAADP-induced calcium release. These assays typically use cell homogenates or permeabilized cells and measure calcium release from lysosomal/endolysosomal stores in response to NAADP in the presence of the compound. Its effects on IP3- and cADPR-mediated calcium release are also assessed to confirm its selectivity.
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| Cell Assay |
In vitro cellular assays for Ned-19 assess its effects on calcium signaling in cells. Cells such as HUVECs are treated with Ned-19, and calcium signals in response to NAADP or other stimuli are measured. Its effects on acrosome reaction in sperm cells can also be assessed. These assays demonstrate the compound's functional activity in a relevant cellular context.
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| Animal Protocol |
In vivo animal studies for Ned-19 have been conducted in models of intestinal inflammation to evaluate its efficacy. However, specific details of these studies are not extensively detailed in the available literature. It is a research compound and is not approved for clinical use.
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| ADME/Pharmacokinetics |
Specific pharmacokinetic data for Ned-19 are not extensively detailed in the available literature. As a small molecule, its pharmacokinetic properties would be important for its in vivo efficacy. However, specific parameters such as half-life and bioavailability are not provided. It is intended for research use only.
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| Toxicity/Toxicokinetics |
Specific toxicity data for Ned-19 are not extensively detailed in the available literature. As a NAADP antagonist, its toxicity profile is likely related to its mechanism of action. However, its use in research suggests a manageable safety profile. It is intended for research purposes only.
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| References | |
| Additional Infomation |
Trans-Ned 19 belongs to the β-carboline class of compounds, with the chemical name 2,3,4,9-tetrahydro-1H-β-carboline-3-carboxylic acid, wherein the methylene proton at position 1 is replaced by 3-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl. It is a nicotinic adenine dinucleotide phosphate receptor antagonist. It belongs to the β-carboline class, α-amino acid class, monomethoxybenzene class, monofluorobenzene class, and N-arylpiperazine class.
Ned-19 (trans-Ned 19) is a NAADP antagonist and TPC blocker. It suppresses calcium signals in HUVECs and rat aorta relaxation. It increases the spontaneous acrosome reaction rate and alleviates intestinal inflammation. It is a research compound and is not approved for clinical use. |
| Molecular Formula |
C30H31FN4O3
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|---|---|
| Molecular Weight |
514.590550661087
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| Exact Mass |
514.238
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| CAS # |
1354235-96-3
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| Related CAS # |
Ned 19;874374-25-1
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| PubChem CID |
1427628
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
4.657
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
38
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| Complexity |
810
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| Defined Atom Stereocenter Count |
2
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| SMILES |
COC1=C(C=C(C=C1)[C@@H]2C3=C(C[C@H](N2)C(=O)O)C4=CC=CC=C4N3)CN5CCN(CC5)C6=CC=CC=C6F
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| InChi Key |
FUHCEERDBRGPQZ-LBNVMWSVSA-N
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| InChi Code |
InChI=1S/C30H31FN4O3/c1-38-27-11-10-19(16-20(27)18-34-12-14-35(15-13-34)26-9-5-3-7-23(26)31)28-29-22(17-25(33-28)30(36)37)21-6-2-4-8-24(21)32-29/h2-11,16,25,28,32-33H,12-15,17-18H2,1H3,(H,36,37)/t25-,28+/m0/s1
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| Chemical Name |
(1R,3S)-1-[3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic 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) |
DMSO : ~100 mg/mL (~194.33 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 6.25 mg/mL (12.15 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 62.5 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: ≥ 6.25 mg/mL (12.15 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 62.5 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: ≥ 6.25 mg/mL (12.15 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 | 1.9433 mL | 9.7165 mL | 19.4329 mL | |
| 5 mM | 0.3887 mL | 1.9433 mL | 3.8866 mL | |
| 10 mM | 0.1943 mL | 0.9716 mL | 1.9433 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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