| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Isoquinoline does not have a defined pharmacological target. However, isoquinoline-based alkaloids, such as berberine, exhibit various biological activities. These compounds have been extensively studied for their anticancer effects. They have been shown to induce cell cycle arrest, apoptosis, and autophagy in cancer cells. Isoquinoline alkaloids also exhibit antimicrobial, antimalarial, and anti-inflammatory activities.
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|---|---|
| ln Vitro |
In vitro, isoquinoline is used as a building block for the synthesis of biologically active compounds. Isoquinoline-based alkaloids exhibit anticancer activity. For example, berberine, an isoquinoline alkaloid, exerts anti-inflammatory effects by downregulating the gene expression ratios of pro-/anti-inflammatory and Th1/Th2 cytokines.
|
| ln Vivo |
In vivo, isoquinoline itself is not used as a therapeutic agent. However, isoquinoline alkaloids have shown various pharmacological activities. Berberine, for example, has been studied for its anti-inflammatory effects in diabetic mice.
|
| Enzyme Assay |
Non-cellular assays for isoquinoline are not applicable, as it is a chemical building block.
|
| Cell Assay |
Cell-based assays for isoquinoline-based compounds involve studying their effects on cancer cells and other cell types. These compounds have been shown to induce cell cycle arrest, apoptosis, and autophagy.
|
| Animal Protocol |
In vivo animal experiments with isoquinoline-based compounds have been conducted to study their pharmacological effects. For example, berberine has been studied in diabetic mouse models.
|
| ADME/Pharmacokinetics |
Metabolism / Metabolites
Isoquinoline's known human metabolites include isoquinoline N-oxide. Pharmacokinetic data for isoquinoline are not applicable, as it is a chemical intermediate. |
| Toxicity/Toxicokinetics |
Isoquinoline may be harmful if swallowed, inhaled, or absorbed through the skin. It may cause irritation. Standard laboratory safety precautions should be followed.
|
| References | |
| Additional Infomation |
Isoquinoline is an ortho-fused heteroaromatic hydrocarbon belonging to the benzopyridine class of compounds, in which the nitrogen atom is not directly attached to the benzene ring. It is a rare organic heterobicyclic parent compound, belonging to nitrogen-containing heteroaromatics, ortho-fused heteroaromatics, and is also a member of the isoquinoline class. It has been reported that isoquinoline is found in Japanese honeysuckle (Lonicera japonica), and relevant data is available. See also: Quinoline (note moved to).
Isoquinoline is a research chemical and a building block for the synthesis of various compounds, including pharmaceuticals. It is used in the synthesis of nitrated indenoisoquinolines as potent topoisomerase I inhibitors. It is also used as a solvent. |
| Molecular Formula |
C9H7N
|
|---|---|
| Molecular Weight |
129.16
|
| Exact Mass |
129.057
|
| CAS # |
119-65-3
|
| Related CAS # |
Isoquinoline-d7;17157-12-9
|
| PubChem CID |
8405
|
| Appearance |
Colorless to yellow <26°C powder,>28°C liquid
|
| Density |
1.1±0.1 g/cm3
|
| Boiling Point |
243.2±0.0 °C at 760 mmHg
|
| Melting Point |
25.5 - 26 °C
|
| Flash Point |
107.2±0.0 °C
|
| Vapour Pressure |
0.1±0.4 mmHg at 25°C
|
| Index of Refraction |
1.642
|
| LogP |
1.96
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
1
|
| Rotatable Bond Count |
0
|
| Heavy Atom Count |
10
|
| Complexity |
111
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
N1C([H])=C([H])C2=C([H])C([H])=C([H])C([H])=C2C=1[H]
|
| InChi Key |
AWJUIBRHMBBTKR-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H
|
| Chemical Name |
isoquinoline
|
| 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 |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
DMSO: 100 mg/mL (774.23 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (19.36 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 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 (19.36 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 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (19.36 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 | 7.7423 mL | 38.7117 mL | 77.4234 mL | |
| 5 mM | 1.5485 mL | 7.7423 mL | 15.4847 mL | |
| 10 mM | 0.7742 mL | 3.8712 mL | 7.7423 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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