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4-Methylcinnamic acid 1866-39-3

4-Methylcinnamic acid 1866-39-3

CAS No.: 1866-39-3

4-Methylcinnamic acid, a cinnamic acid analog, may be used as an intervention catalyst to overcome antifungal resistance
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4-Methylcinnamic acid, a cinnamic acid analog, may be used as an intervention catalyst to overcome antifungal resistance. 4-Methylcinnamic acid can increase the effectiveness of cell wall destroying agents.

Physicochemical Properties


Molecular Formula C10H10O2
Molecular Weight 162.19
Exact Mass 162.068
CAS # 1866-39-3
PubChem CID 731767
Appearance Typically exists as solid at room temperature
Density 1.1±0.1 g/cm3
Boiling Point 300.6±11.0 °C at 760 mmHg
Melting Point 196-198 °C(lit.)
Flash Point 206.1±10.2 °C
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.603
LogP 2.87
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Heavy Atom Count 12
Complexity 176
Defined Atom Stereocenter Count 0
SMILES

O([H])C(/C(/[H])=C(\[H])/C1C([H])=C([H])C(C([H])([H])[H])=C([H])C=1[H])=O

InChi Key RURHILYUWQEGOS-VOTSOKGWSA-N
InChi Code

InChI=1S/C10H10O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-6+
Chemical Name

(E)-3-(4-methylphenyl)prop-2-enoic acid
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)

Biological Activity


References [1]. Kim JH, et, al. Cinnamic Acid Analogs as Intervention Catalysts for Overcoming Antifungal Tolerance. Molecules. 2017 Oct 21;22(10):1783.
Additional Infomation 4-Methylcinnamic acid is a member of cinnamic acids.

Solubility Data


Solubility (In Vitro) DMSO : 100 mg/mL (616.56 mM)
Solubility (In Vivo) Solubility in Formulation 1: 2.5 mg/mL (15.41 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension 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 (15.41 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.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 6.1656 mL 30.8280 mL 61.6561 mL
5 mM 1.2331 mL 6.1656 mL 12.3312 mL
10 mM 0.6166 mL 3.0828 mL 6.1656 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.