Physicochemical Properties
| Molecular Formula | C28H36O10 |
| Molecular Weight | 532.5794 |
| Exact Mass | 532.23 |
| CAS # | 786593-06-4 |
| Related CAS # | Kalii Dehydrographolidi Succinas;76958-99-1 |
| PubChem CID | 6540717 |
| Appearance | White to off-white solid powder |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 733.8±60.0 °C at 760 mmHg |
| Melting Point | 136-138ºC |
| Flash Point | 239.1±26.4 °C |
| Vapour Pressure | 0.0±5.2 mmHg at 25°C |
| Index of Refraction | 1.562 |
| LogP | 2.85 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 13 |
| Heavy Atom Count | 38 |
| Complexity | 1060 |
| Defined Atom Stereocenter Count | 5 |
| SMILES | C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2/C=C/C3=CCOC3=O)(C)COC(=O)CCC(=O)O)OC(=O)CCC(=O)O |
| InChi Key | YTHKMAIVPFVDNU-GPTWTFMPSA-N |
| InChi Code | InChI=1S/C28H36O10/c1-17-4-7-20-27(2,19(17)6-5-18-13-15-36-26(18)35)14-12-21(38-25(34)11-9-23(31)32)28(20,3)16-37-24(33)10-8-22(29)30/h5-6,13,19-21H,1,4,7-12,14-16H2,2-3H3,(H,29,30)(H,31,32)/b6-5+/t19-,20+,21-,27+,28+/m1/s1 |
| Chemical Name | 4-[[(1R,2R,4aR,5R,8aS)-2-(3-carboxypropanoyloxy)-1,4a-dimethyl-6-methylidene-5-[(E)-2-(5-oxo-2H-furan-4-yl)ethenyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-4-oxobutanoic 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].Pharmacokinetics and tolerance of dehydroandrographolide succinate injection after intravenousadministration in healthy Chinese volunteers. Acta Pharmacol Sin. 2012 Oct;33(10):1332-6. [2].Potassium dehydroandrographolide succinate injection for treat- ment of infantile pneumonia: a systematic review and Meta-analysis. J Tradit Chin Med. 2015 Apr;35(2):125-33. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~187.77 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (3.91 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 20.8 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: ≥ 2.08 mg/mL (3.91 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 20.8 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. Solubility in Formulation 3: ≥ 2.08 mg/mL (3.91 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 20.8 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 | 1.8777 mL | 9.3883 mL | 18.7765 mL | |
| 5 mM | 0.3755 mL | 1.8777 mL | 3.7553 mL | |
| 10 mM | 0.1878 mL | 0.9388 mL | 1.8777 mL |