| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
Coclaurine primarily targets nicotinic acetylcholine receptors (nAChRs), acting as an antagonist. nAChRs are ligand-gated ion channels involved in neurotransmission in the central and peripheral nervous systems. By blocking these receptors, coclaurine modulates cholinergic signaling. The compound also has insecticidal activities. As a benzylisoquinoline alkaloid, it may interact with other targets such as calcium channels, but its primary pharmacological action is as an nAChR antagonist.
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| ln Vitro |
In vitro, coclaurine functions as a nicotinic acetylcholine receptor antagonist. It has insecticidal activities. The compound's activity is typically evaluated using receptor binding assays and functional assays measuring nAChR-mediated ion flux. As a natural alkaloid, it may also exhibit other biological activities including potential effects on calcium channels. However, specific IC50 values and detailed in vitro data are not extensively reported in the available literature.
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| ln Vivo |
In vivo activity of coclaurine has been studied primarily in the context of its insecticidal properties. As a plant-derived alkaloid, it may serve as a defense compound against herbivorous insects. Its nAChR antagonist activity suggests potential effects on neurotransmission in animal models. However, specific in vivo efficacy data, including dosing regimens and animal models, are not extensively detailed in the available literature. The compound is primarily a research tool for studying alkaloid biology and nAChR pharmacology.
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| Enzyme Assay |
Cell-free assays for coclaurine involve evaluating its binding affinity to nicotinic acetylcholine receptors. Radioligand binding assays are performed using membrane preparations from cells expressing nAChRs. Coclaurine is incubated with membranes and a radiolabeled nAChR ligand. Competition binding experiments determine Ki or IC50 values. The compound's chemical purity and identity are confirmed by HPLC, NMR, and mass spectrometry. It is typically dissolved in DMSO or appropriate solvents for assay preparation.
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| Cell Assay |
In vitro cellular assays for coclaurine typically involve treating cells expressing nicotinic acetylcholine receptors with various concentrations of the compound. Functional assays such as calcium flux or electrophysiological recordings are used to measure nAChR activity. The compound's ability to block nAChR-mediated signaling is assessed. Cytotoxicity is evaluated using standard cell viability assays. Insecticidal activity is assessed using insect bioassays. The compound is typically dissolved in DMSO and diluted in cell culture medium.
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| Animal Protocol |
In vivo animal studies for coclaurine are limited, as the compound is primarily a research tool for studying alkaloid biology and nAChR pharmacology. Insecticidal activity studies may be conducted in insect models. For mammalian studies, the compound would be administered via various routes to assess its effects on cholinergic signaling. However, specific dosing regimens and experimental protocols are not extensively documented in the available literature. The compound is intended for research use only.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of coclaurine include a molecular weight of 285.34 g/mol, molecular formula C17H19NO3, and purity ≥98%. It has a melting point of 220-221°C, density of 1.25, and pKa of 10.00±0.15. It is soluble in chloroform, dichloromethane, ethyl acetate, DMSO, and acetone. As a natural alkaloid, it is expected to have moderate oral bioavailability. Detailed ADME parameters are not extensively reported in the available literature.
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| Toxicity/Toxicokinetics |
The toxicity profile of coclaurine has not been extensively characterized in published literature. As a natural alkaloid with nAChR antagonist activity, it may have dose-dependent effects on neurotransmission. Standard safety precautions should be followed when handling this compound. The compound is intended for research use only and not for therapeutic applications in humans.
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| References | |
| Additional Infomation |
(S)-Theobromine is the (S)-enantiomer of theobromine, the conjugate base of (S)-theobromineonium, and also the enantiomer of (R)-theobromine. Theobromine has been reported to exist in Gnetum montanum, Cyclea barbata, and other organisms with relevant data.
Coclaurine is a benzylisoquinoline alkaloid found in various plants that acts as a nicotinic acetylcholine receptor antagonist. It has insecticidal activities. Its molecular formula is C17H19NO3 with a molecular weight of 285.34 g/mol. Coclaurine is a research tool for studying nAChR pharmacology and alkaloid biology. It is not for therapeutic use. |
| Molecular Formula |
C17H19NO3
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|---|---|
| Molecular Weight |
285.3377
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| Exact Mass |
285.136
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| CAS # |
486-39-5
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| PubChem CID |
160487
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
496.9±45.0 °C at 760 mmHg
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| Melting Point |
220-221°
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| Flash Point |
254.3±28.7 °C
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| Vapour Pressure |
0.0±1.3 mmHg at 25°C
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| Index of Refraction |
1.621
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| LogP |
1.72
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
21
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| Complexity |
330
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| Defined Atom Stereocenter Count |
1
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| SMILES |
COC1=C(C=C2[C@@H](NCCC2=C1)CC3=CC=C(C=C3)O)O
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| InChi Key |
LVVKXRQZSRUVPY-HNNXBMFYSA-N
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| InChi Code |
InChI=1S/C17H19NO3/c1-21-17-9-12-6-7-18-15(14(12)10-16(17)20)8-11-2-4-13(19)5-3-11/h2-5,9-10,15,18-20H,6-8H2,1H3/t15-/m0/s1
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| Chemical Name |
(1S)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
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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 | 3.5046 mL | 17.5230 mL | 35.0459 mL | |
| 5 mM | 0.7009 mL | 3.5046 mL | 7.0092 mL | |
| 10 mM | 0.3505 mL | 1.7523 mL | 3.5046 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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