| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
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| Other Sizes |
| ln Vitro |
Because it resembles a number of other bicyclic aromatic compounds that are frequently found in pharmaceuticals, the azulene ring is an intriguing scaffold in medicinal chemistry. The structural isomer of naphthalene, chamomilene, is a bicyclic aromatic hydrocarbon that is non-benzene and has a dipole moment because of two different rings: one with seven electrons deficient and the other with five electrons abundant [1].
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|---|---|
| ADME/Pharmacokinetics |
Metabolism / Metabolites
The metabolism of polycyclic aromatic hydrocarbons (PAHs) occurs in all tissues and is typically catalyzed by cytochrome P-450 and its associated enzymes. PAH metabolism produces reactive intermediates, including epoxide intermediates, dihydrodiols, phenols, quinones, and various combinations thereof. Phenols, quinones, and dihydrodiols can all bind to glucuronides and sulfates; quinones can also bind to glutathione. (L10) |
| Toxicity/Toxicokinetics |
Toxicity Summary
Polycyclic aromatic hydrocarbons (PAHs) can bind to blood proteins such as albumin, thereby facilitating their transport in the body. Many PAHs induce the expression of cytochrome P450 enzymes, particularly CYP1A1, CYP1A2, and CYP1B1, by binding to aryl hydrocarbon receptors or glycine N-methyltransferases. These enzymes metabolize PAHs into their toxic intermediates. The active metabolites of PAHs (epoxide intermediates, dihydrodiols, phenols, quinones, and various combinations thereof) covalently bind to DNA and other cellular macromolecules, inducing mutagenic and carcinogenic effects. (L10, L23, A27, A32) Toxicity Data LD50: >4000 mg/kg (oral, rat) (L912) LD50: 180 mg/kg (intraperitoneal, rat) (L912) LD50: 520 mg/kg (subcutaneous, rat) (L912) |
| References | |
| Additional Infomation |
Azurite is a carbon-containing bicyclic parent compound composed of cycloheptatriene and cyclopentadiene rings. It is a plant metabolite and volatile oil component. It is an ortho-fused bicyclic aromatic hydrocarbon, belonging to the azurite class of compounds, and is also a carbon-containing bicyclic parent compound. Azurite has been reported to exist in Achillea asiatica, Basella alba, and several other organisms with relevant data. Azurite is one of more than 100 polycyclic aromatic hydrocarbons (PAHs). PAHs are chemical substances formed during the incomplete combustion of organic matter such as fossil fuels. They usually exist as mixtures of two or more compounds. (L10)
|
| Molecular Formula |
C10H8
|
|---|---|
| Molecular Weight |
128.17
|
| Exact Mass |
128.062
|
| CAS # |
275-51-4
|
| Related CAS # |
82451-56-7
|
| PubChem CID |
9231
|
| Appearance |
Purple to blue solid powder
|
| Density |
1.0±0.1 g/cm3
|
| Boiling Point |
220.7±7.0 °C at 760 mmHg
|
| Melting Point |
98-100 °C(lit.)
|
| Flash Point |
76.7±8.9 °C
|
| Vapour Pressure |
0.2±0.2 mmHg at 25°C
|
| Index of Refraction |
1.632
|
| LogP |
3.45
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
0
|
| Rotatable Bond Count |
0
|
| Heavy Atom Count |
10
|
| Complexity |
94.6
|
| Defined Atom Stereocenter Count |
0
|
| InChi Key |
CUFNKYGDVFVPHO-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H
|
| Chemical Name |
azulene
|
| 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 (~780.21 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (19.51 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 (19.51 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 (19.51 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 | 7.8021 mL | 39.0107 mL | 78.0214 mL | |
| 5 mM | 1.5604 mL | 7.8021 mL | 15.6043 mL | |
| 10 mM | 0.7802 mL | 3.9011 mL | 7.8021 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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