Physicochemical Properties
| Molecular Formula | C36H59NO6 |
| Molecular Weight | 601.86 |
| Exact Mass | 601.434 |
| CAS # | 745020-66-0 |
| PubChem CID | 9960374 |
| Appearance | Typically exists as solid at room temperature |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 664.8±55.0 °C at 760 mmHg |
| Flash Point | 355.8±31.5 °C |
| Vapour Pressure | 0.0±4.6 mmHg at 25°C |
| Index of Refraction | 1.553 |
| LogP | 9.76 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 9 |
| Heavy Atom Count | 43 |
| Complexity | 1130 |
| Defined Atom Stereocenter Count | 10 |
| SMILES | O(C(C([H])([H])[H])=O)[C@@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@]([H])(C1(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])[C@]1(C([H])([H])[H])[C@]2([H])C([H])([H])C([H])([H])[C@]2([H])[C@@]3([H])[C@]([H])(C(=C([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])[C@]3(C(=O)OC([H])([H])C(C([H])([H])O[H])(C([H])([H])O[H])N([H])[H])C([H])([H])C([H])([H])[C@@]12C([H])([H])[H] |
| InChi Key | KQZVSTAVTJCKDG-DRSBITMPSA-N |
| InChi Code | InChI=1S/C36H59NO6/c1-22(2)24-11-16-36(30(41)42-21-35(37,19-38)20-39)18-17-33(7)25(29(24)36)9-10-27-32(6)14-13-28(43-23(3)40)31(4,5)26(32)12-15-34(27,33)8/h24-29,38-39H,1,9-21,37H2,2-8H3/t24-,25+,26-,27+,28-,29+,32-,33+,34+,36-/m0/s1 |
| Chemical Name | [2-amino-3-hydroxy-2-(hydroxymethyl)propyl] (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-acetyloxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate |
| Synonyms | NVX 207 NVX207 NVX-207 |
| 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 |
| 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 | NVX-207 uses apoptosis to cause cell death [1]. With IC50 values ranging from 7.6-8.5 µM, NVX-207 was found to be highly cytotoxic against the three malignant glioma cell lines under investigation. NVX-207 reduces survivin expression levels and cleaves PARP in both normoxic and hypoxic environments. In glioma cell lines, NVX-207 (20 µM) significantly raises the necrosis rate [2]. |
| ln Vivo | Mice responded favorably to NVX-207 intravenous treatment [1]. |
| References |
[1]. Willmann M, et al. Characterization of NVX-207, a novel betulinic acid-derived anti-cancer compound. Eur J Clin Invest. 2009;39(5):384-394. [2]. Bache M, et al. Betulinic acid derivatives NVX-207 and B10 for treatment of glioblastoma--an in vitro study of cytotoxicity and radiosensitization. Int J Mol Sci. 2014 Oct 30;15(11):19777-90 |
Solubility Data
| Solubility (In Vitro) | DMSO : ~125 mg/mL (~207.69 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (3.46 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 (3.46 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 (3.46 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 | 1.6615 mL | 8.3076 mL | 16.6152 mL | |
| 5 mM | 0.3323 mL | 1.6615 mL | 3.3230 mL | |
| 10 mM | 0.1662 mL | 0.8308 mL | 1.6615 mL |