Physicochemical Properties
| Molecular Formula | C16H14O5 |
| Molecular Weight | 286.28 |
| Exact Mass | 286.084 |
| CAS # | 33783-80-1 |
| PubChem CID | 44144315 |
| Appearance | White to off-white solid powder |
| LogP | 2.855 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 21 |
| Complexity | 458 |
| Defined Atom Stereocenter Count | 1 |
| SMILES | CC(=C)[C@H](COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O |
| InChi Key | BVMOMQJYQYBMKL-LBPRGKRZSA-N |
| InChi Code | InChI=1S/C16H14O5/c1-9(2)12(17)8-20-16-10-3-4-15(18)21-14(10)7-13-11(16)5-6-19-13/h3-7,12,17H,1,8H2,2H3/t12-/m0/s1 |
| Chemical Name | 4-[(2R)-2-hydroxy-3-methylbut-3-enoxy]furo[3,2-g]chromen-7-one |
| 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
| ln Vitro | Pangelin demonstrates strong cytotoxic action against four different types of tumor cell lines, with IC50s ranging from 8.6 to 14.6 μg/mL[1]. |
| References |
[1]. Cytotoxic coumarins from the root of Angelica dahurica. Arch Pharm Res. 2004 Dec;27(12):1211-5. [2]. Pangelin, an antimycobacterial coumarin from Ducrosia anethifolia. Planta Med. 2003 Oct;69(10):956-9. |
| Additional Infomation |
Pangelin has been reported in Angelica japonica, Ducrosia anethifolia, and other organisms with data available. See also: Pabulenol (annotation moved to). |
Solubility Data
| Solubility (In Vitro) | DMSO : 50 mg/mL (174.65 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (4.37 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 12.5 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: ≥ 1.25 mg/mL (4.37 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 12.5 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 | 3.4931 mL | 17.4654 mL | 34.9308 mL | |
| 5 mM | 0.6986 mL | 3.4931 mL | 6.9862 mL | |
| 10 mM | 0.3493 mL | 1.7465 mL | 3.4931 mL |