PeptideDB

Niazinin 147821-57-6

Niazinin 147821-57-6

CAS No.: 147821-57-6

Niazinin is a thiocarbamate glycoside with anti-Leishmania activity with IC50 of 5.25 μM. Niazinin also shows binding a
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Niazinin is a thiocarbamate glycoside with anti-Leishmania activity with IC50 of 5.25 μM. Niazinin also shows binding affinity to the target protein 3CL protease. Niazinin has leishmanicidal, anti-inflammatory and antipyretic activities.

Physicochemical Properties


Molecular Formula C15H21NO6S
Molecular Weight 343.39534
Exact Mass 343.108
CAS # 147821-57-6
PubChem CID 10088810
Appearance Off-white to light yellow solid powder
LogP 0.4
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 5
Heavy Atom Count 23
Complexity 390
Defined Atom Stereocenter Count 5
SMILES

CC1C(C(C(C(O1)OC2=CC=C(C=C2)CNC(=S)OC)O)O)O

InChi Key ZOIAMMQYAZSWRX-CNJBRALLSA-N
InChi Code

InChI=1S/C15H21NO6S/c1-8-11(17)12(18)13(19)14(21-8)22-10-5-3-9(4-6-10)7-16-15(23)20-2/h3-6,8,11-14,17-19H,7H2,1-2H3,(H,16,23)/t8-,11-,12+,13+,14-/m0/s1
Chemical Name

O-methyl N-[[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]methyl]carbamothioate
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

Note: This product requires protection from light (avoid light exposure) during transportation and storage.
Shipping Condition Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity


ln Vitro At a significantly greater concentration (CC50 of 31.6 µM) than its antileishmanial concentration (IC50 of 5.25 µM), niazinin is cytotoxic[1]..
References

[1]. Antileishmanial compounds from Moringa oleifera Lam. Z Naturforsch C J Biosci. Mar-Apr 2014;69(3-4):110-6.

[2]. Structure-based virtual screening, molecular dynamics and binding affinity calculations of some potential phytocompounds against SARS-CoV-2. J Biomol Struct Dyn. 2021 Mar 8;1-18.

Additional Infomation Niazinin has been reported in Moringa oleifera with data available.

Solubility Data


Solubility (In Vitro) DMSO : ≥ 50 mg/mL (145.60 mM)
Solubility (In Vivo) Solubility in Formulation 1: 2.5 mg/mL (7.28 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.
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 (7.28 mM) 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; with ultrasonication.
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.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 2.9121 mL 14.5603 mL 29.1206 mL
5 mM 0.5824 mL 2.9121 mL 5.8241 mL
10 mM 0.2912 mL 1.4560 mL 2.9121 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.