Physicochemical Properties
| Molecular Formula | C21H25NO6 |
| Molecular Weight | 387.43 |
| Exact Mass | 387.168 |
| CAS # | 116409-29-1 |
| PubChem CID | 340208 |
| Appearance | Off-white to light yellow solid powder |
| Density | 1.276g/cm3 |
| Boiling Point | 515.2ºC at 760mmHg |
| Flash Point | 265.4ºC |
| Vapour Pressure | 3.09E-11mmHg at 25°C |
| Index of Refraction | 1.598 |
| LogP | 3.269 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Heavy Atom Count | 28 |
| Complexity | 487 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | QCXGNLZKUHBIHD-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C21H25NO6/c1-24-18-8-13(9-19(25-2)21(18)26-3)20(22-6-4-5-7-22)14-10-16-17(11-15(14)23)28-12-27-16/h8-11,20,23H,4-7,12H2,1-3H3 |
| Chemical Name | 6-[pyrrolidin-1-yl-(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxol-5-ol |
| 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
| Targets | STAT3 STAT5 TET1 |
| ln Vitro | NSC-370284 (0-500 nM; 24 h or 48 h) suppresses the viability of acute myeloid leukemia (AML) cells MONOMAC-6, THP-1, KOCL-48, and KASUMI-1 by targeting STAT3/5. NSC-370284 drastically reduces the transcription levels of TET1 [1]. |
| ln Vivo | In an MLL-AF9 acute myeloid leukemia (AML) mice model, NSC-370284 (2.5 mg/kg; i.p. once daily for 10 days) improved liver tissue, spleen, bone marrow, and peripheral blood (PB). Pathomorphological aspects [1]. |
| Cell Assay |
Cell Viability Assay[1] Cell Types: AML cell lines including MONOMAC-6, THP-1, KOCL-48, and KASUMI -1. Tested Concentrations: 0, 25, 50, 200 or 500 nM. Incubation Duration: 24 h or 48 h. Experimental Results: demonstrated inhibitory for AML cells viability and TET1 transcription. |
| Animal Protocol |
Animal/Disease Models: C57BL/6 (CD45.2) and B6.SJL (CD45.1) mice[1]. Doses: 2.5 mg/kg. Route of Administration: intraperitoneal (ip)injection, one time/day, for 10 days. Experimental Results: Dramatically inhibited MLL-AF9 induced AML in secondary bone marrow transplantation (BMT) recipient mice. |
| References |
[1]. Targeted inhibition of STAT/TET1 axis as a therapeutic strategy for acute myeloid leukemia. Nat Commun. 2017 Dec 13;8(1):2099. |
Solubility Data
| Solubility (In Vitro) | DMSO : 100 mg/mL (258.11 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.45 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 (6.45 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 | 2.5811 mL | 12.9056 mL | 25.8111 mL | |
| 5 mM | 0.5162 mL | 2.5811 mL | 5.1622 mL | |
| 10 mM | 0.2581 mL | 1.2906 mL | 2.5811 mL |