Physicochemical Properties
| Molecular Formula | C12H10O5 |
| Molecular Weight | 234.20 |
| Exact Mass | 234.052 |
| CAS # | 62935-72-2 |
| Related CAS # | (7-Methoxy-2-oxo-2H-chromen-4-yl)-acetic acid-d3;(7-Methoxy-2-oxo-2H-chromen-4-yl)-acetic acid-d6 |
| PubChem CID | 342221 |
| Appearance | White to off-white solid powder |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 472.9±45.0 °C at 760 mmHg |
| Melting Point | 193 °C (dec.)(lit.) |
| Flash Point | 189.2±22.2 °C |
| Vapour Pressure | 0.0±1.2 mmHg at 25°C |
| Index of Refraction | 1.584 |
| LogP | 1.52 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 17 |
| Complexity | 360 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | ZEKAXIFHLIITGV-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C12H10O5/c1-16-8-2-3-9-7(4-11(13)14)5-12(15)17-10(9)6-8/h2-3,5-6H,4H2,1H3,(H,13,14) |
| Chemical Name | 2-(7-methoxy-2-oxochromen-4-yl)acetic 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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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]. NSP4 is stored in azurophil granules and released by activated neutrophils as active endoprotease with restricted specificity. J Immunol. 2013 Sep 1;191(5):2700-7. [2]. Effect of functional groups on the solubilities of coumarin derivatives in supercritical carbon dioxide. Chromatographia. 1998 Jan;47(93-7). |
| Additional Infomation | 7-methoxycoumarin-4-acetic acid is a monocarboxylic acid. It has a role as a fluorochrome. It is functionally related to a coumarin. |
Solubility Data
| Solubility (In Vitro) | DMSO: 25 mg/mL (106.75 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (10.67 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 (10.67 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.2699 mL | 21.3493 mL | 42.6985 mL | |
| 5 mM | 0.8540 mL | 4.2699 mL | 8.5397 mL | |
| 10 mM | 0.4270 mL | 2.1349 mL | 4.2699 mL |