 Chemical Structure.png)
Physicochemical Properties
| Molecular Formula | C21H21CLO11 |
| Molecular Weight | 484.84 |
| Exact Mass | 484.077 |
| CAS # | 27661-36-5 |
| PubChem CID | 176457 |
| Appearance | Brown to black solid powder |
| Hydrogen Bond Donor Count | 8 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 33 |
| Complexity | 623 |
| Defined Atom Stereocenter Count | 5 |
| SMILES | C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)O)O.[Cl-] |
| InChi Key | YTMNONATNXDQJF-QSLGVYCOSA-N |
| InChi Code | InChI=1S/C21H20O11.ClH/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8;/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26);1H/t16-,17+,18+,19-,21-;/m1./s1 |
| Chemical Name | (2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride |
| 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: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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
| Targets | AChE |
| ln Vitro | With an oxygen free radical absorption capacity of 11.65±2.37 μM Trolox equivalents (TE)/mg, an IC50 value of 6.72 μg/mL for DPPH, and an IC50 value of 11.72 μg/mL for anti-AChE activity, EPHF exhibits high antioxidant and AChE inhibitory action[1]. With IC50 values of 2.76 and 80.11 μg/mL, respectively, EPHF exhibits dose-dependent high-level cytotoxicity against the human tumor cell lines MCF-7 and SKOV-3 [1]. |
| References |
[1]. Phytochemical Compositions of Extract From Peel of Hawthorn Fruit, and Its Antioxidant Capacity, Cell Growth Inhibition, and Acetylcholinesterase Inhibitory Activity. BMC Complement Altern Med. 2017 Mar 11;17(1):151. |
| Additional Infomation | Cyanidin 3-O-beta-D-galactoside chloride is a memeber of the class of anthocyanin chlorides that has cyanidin 3-O-beta-D-galactoside as the cationic counterpart. It contains a cyanidin 3-O-beta-D-galactoside. |
Solubility Data
| Solubility (In Vitro) | DMSO: 100 mg/mL (206.25 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.16 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 (5.16 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 | 2.0625 mL | 10.3127 mL | 20.6254 mL | |
| 5 mM | 0.4125 mL | 2.0625 mL | 4.1251 mL | |
| 10 mM | 0.2063 mL | 1.0313 mL | 2.0625 mL |