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Antiviral API
- Arenavirus
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- Antiviral intermediates
Betulonic acid
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| Category | Herpes simplex Virus (HSV) |
| CAS | 4481-62-3 |
| Description | Betulonic acid isolated from the branch of Eucalyptus globulus Labill. It could be used as potential leads for the development of new type of anti-cancer agents. |
Product Information
| Synonyms | Betulinonic acid; |
| IUPAC Name | (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid |
| Molecular Weight | 454.7 |
| Molecular Formula | C30H46O3 |
| Canonical SMILES | CC(=C)C1CCC2(C1C3CCC4C5(CCC(=O)C(C5CCC4(C3(CC2)C)C)(C)C)C)C(=O)O |
| InChI | InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1 |
| Boiling Point | 548.1±33.0 °C at 760 mmHg |
| Melting Point | 264 °C |
| Flash Point | 299.4±21.9 °C |
| Purity | 97% |
| Density | 1.1±0.1 g/cm3 |
| Solubility | In Vitro: DMSO : 6.67 mg/mL(14.67 mM;Need ultrasonic) In Vivo: 1.Add each solvent one by one:10% DMSO >> 40%PEG300 >> 5%Tween-80 >> 45% saline Solubility: ≥ 0.67 mg/mL (1.47 mM); Clear solution 2.Add each solvent one by one:10% DMSO >> 90%corn oil Solubility: ≥ 0.67 mg/mL (1.47 mM); Clear solution |
| Appearance | Powder |
| Application | antiholestatic effects; |
| Storage | Powder: -20°C 3 years 4°C 2 years In solvent: -80°C 6 months -20°C 1 months |
| Complexity | 902 |
| Exact Mass | 454.34469533 |
| Index Of Refraction | 1.527 |
| In Vitro | Betulonic acid (72 h) inhibits the growth of various types of human tumor cell lines, including MGC-803, PC3, Bcap-37, A375, MCF-7 tumor cell lines, with IC50s of 17.7, 13.9, 25.7, 28.9, 18.2 μM, respectively. Betulonic acid has antiplasmodial activity, with IC50 of 10 μM. Betulonic acid inhibits HSV-1, ECHO6 and influenza FPV viruses, with EC50s of 0.9, 73.32, and 5.7 µM, respectively. |
| PSA | 54.37000 |
| Target | Parasite; HSV-1 |
| Vapor Pressure | 0.0±3.2 mmHg at 25°C |
| XLogP3-AA | 7.9 |
