NagarineCAS# 41849-35-8 |
Quality Control & MSDS
3D structure
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Number of papers citing our products
| Cas No. | 41849-35-8 | SDF | Download SDF |
| PubChem ID | 16401086 | Appearance | Powder |
| Formula | C34H47NO12 | M.Wt | 661.74 |
| Type of Compound | Alkaloids | Storage | Desiccate at -20°C |
| Synonyms | 10-Hydroxy aconitine | ||
| Solubility | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. | ||
| Chemical Name | [(1R,2S,3S,4R,5R,6S,7S,8S,9R,10R,13R,14R,16S,17R,18R)-8-acetyloxy-11-ethyl-2,5,7,14-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate | ||
| SMILES | CCN1CC2(C(CC(C34C2C(C(C31)C5(C6C4(CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)O)OC(=O)C)OC)OC)O)COC | ||
| Standard InChIKey | GMSKTJVHWUUOMY-CGYMCTSDSA-N | ||
| Standard InChI | InChI=1S/C34H47NO12/c1-7-35-15-30(16-42-3)19(37)13-20(43-4)33-23(30)22(44-5)21(25(33)35)34(47-17(2)36)24-27(46-29(39)18-11-9-8-10-12-18)31(40,14-32(24,33)41)28(45-6)26(34)38/h8-12,19-28,37-38,40-41H,7,13-16H2,1-6H3/t19-,20+,21+,22+,23-,24+,25-,26+,27-,28+,30+,31-,32+,33-,34+/m1/s1 | ||
| General tips | For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months. We recommend that you prepare and use the solution on the same day. However, if the test schedule requires, the stock solutions can be prepared in advance, and the stock solution must be sealed and stored below -20℃. In general, the stock solution can be kept for several months. Before use, we recommend that you leave the vial at room temperature for at least an hour before opening it. |
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| About Packaging | 1. The packaging of the product may be reversed during transportation, cause the high purity compounds to adhere to the neck or cap of the vial.Take the vail out of its packaging and shake gently until the compounds fall to the bottom of the vial. 2. For liquid products, please centrifuge at 500xg to gather the liquid to the bottom of the vial. 3. Try to avoid loss or contamination during the experiment. |
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| Shipping Condition | Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other couriers with RT, or blue ice upon request. | ||
| Description | Nagarine has toxic and analgesic effects. |
| Structure Identification | Fundam Clin Pharmacol. 2004 Dec;18(6):699-704.A QSAR analysis of toxicity of Aconitum alkaloids.[Pubmed: 15548242]Biological activity of Aconitum alkaloids may be related to their toxicity rather than to a specific pharmacological action.
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Nagarine Dilution Calculator
Nagarine Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 1.5112 mL | 7.5558 mL | 15.1117 mL | 30.2234 mL | 37.7792 mL |
| 5 mM | 0.3022 mL | 1.5112 mL | 3.0223 mL | 6.0447 mL | 7.5558 mL |
| 10 mM | 0.1511 mL | 0.7556 mL | 1.5112 mL | 3.0223 mL | 3.7779 mL |
| 50 mM | 0.0302 mL | 0.1511 mL | 0.3022 mL | 0.6045 mL | 0.7556 mL |
| 100 mM | 0.0151 mL | 0.0756 mL | 0.1511 mL | 0.3022 mL | 0.3778 mL |
| * Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations. | |||||
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A QSAR analysis of toxicity of Aconitum alkaloids.[Pubmed:15548242]
Fundam Clin Pharmacol. 2004 Dec;18(6):699-704.
Biological activity of Aconitum alkaloids may be related to their toxicity rather than to a specific pharmacological action. A Quantitative structure-activity relationships (QSAR) analysis was performed on the following two groups of alkaloids: compounds with an aroyl/aroyloxy group at R(14) position (yunaconitine, bulleyaconitine, aconitine, beiwutine, Nagarine, 3-acetyl aconitine, and penduline), and compounds with the aroyloxy group at R(4) position (N-deacetyllappaconitine, lappaconitine, ranaconitine, N-deacetylfinaconitine, N-deacetylranaconitine). The LD(50) (micromol/kg) of the 12 alkaloids were obtained from the literature. LD(50) was significantly lower in group 1 than in group 2. The steric and core-core repulsion energies were significantly higher in group 1. The total energy and heat of formation and electronic energies were significantly lower in group 1. The reactivity index of N, C1', C4' and C6' were similar between groups. The reactivity index of C2' was significantly higher and the reactivity index of C3' and C5' were significantly lower in group 1. Log P and pKa were similar between groups. Molecular weight was significantly higher in group 1. A significant linear relationship was observed between log LD(50) and either analgesic log ED(50) or local anesthetic log ED(50). The LD(50)/analgesic ED(50) obtained from average values was 5.9 for group 1 and 5.0 for group 2. However, the LD(50)/local anesthetic ED(50) was 40.4 and 318, respectively. The study supports that the analgesic effects of these alkaloids are secondary to their toxic effects whereas alkaloids from group 2 are susceptible to be further studied as local anesthetic agents.
