Physicochemical Properties
| Molecular Formula | C21H26N2O4 |
| Molecular Weight | 370.4421 |
| Exact Mass | 370.189 |
| CAS # | 38020-45-0 |
| PubChem CID | 124183 |
| Appearance | Typically exists as solid at room temperature |
| LogP | 2.827 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Heavy Atom Count | 27 |
| Complexity | 445 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | O1C2C([H])=C(C([H])=C([H])C=2C(C2C([H])=C([H])C(=C([H])C1=2)OC([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])=O)OC([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H] |
| InChi Key | ZPLWAZDWGJOBJA-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C21H26N2O4/c1-22(2)9-11-25-15-5-7-17-19(13-15)27-20-14-16(26-12-10-23(3)4)6-8-18(20)21(17)24/h5-8,13-14H,9-12H2,1-4H3 |
| Chemical Name | 3,6-bis[2-(dimethylamino)ethoxy]xanthen-9-one |
| 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 Vivo | It was investigated how well RMI 10874 (RMI 10,874DA) prevented tumor cells from spreading metastatically. Pretreatment of BALB/c mice with RMI 10,874DA fully eliminated lung colonization of H-2-negative (GR9.B9) MCA-induced fibrosarcoma clones in experimental metastasis assays [1]. Tirolone analog (RMI 10,874DA) and anti-asialoGM1 serum were tested for their effects on the survival of intravenous injections of various syngeneic mouse tumor cells in BALB/c and C57B1/6 mice. Even when the analog is administered as a single dose as part of the pretreatment, RMI 10874 stimulates natural killer (NK) cells in vivo, increases survival time, and prevents the formation of metastases in mice [2]. Clinically, tilolone is an oral bioavailable small molecule antiviral medication [3]. |
| References |
[1]. Algarra I, et al. Generation and control of metastasis in experimental tumor systems; inhibition of experimental metastases by a tilorone analogue. Int J Cancer. 1993 May 28;54(3):518-23. [2]. Algarra I, et al. Effect of in vivo activation of natural killer (NK) cells by a tilorone analogue on the survival of mice injected intravenously with different experimental murine tumours. Clin Exp Immunol. 1996 Mar;103(3):499-505. [3]. Ekins S, et al. Efficacy of Tilorone Dihydrochloride against Ebola Virus Infection. Antimicrob Agents Chemother. 2018 Jan 25;62(2). pii: e01711-17. |
Solubility Data
| Solubility (In Vitro) | May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples |
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples. Injection Formulations (e.g. IP/IV/IM/SC) Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] *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. Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin → 500 μL Saline) Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO → 100 μLPEG300 → 200 μL castor oil → 650 μL Saline) Injection Formulation 7: Ethanol : Cremophor : Saline = 10： 10 : 80 (i.e. 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline) Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH → 900 μL Corn oil) Injection Formulation 10: EtOH : PEG300：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Oral Formulations Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). Oral Formulation 3: Dissolved in PEG400 Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose Oral Formulation 6: Mixing with food powders Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.6995 mL | 13.4975 mL | 26.9949 mL | |
| 5 mM | 0.5399 mL | 2.6995 mL | 5.3990 mL | |
| 10 mM | 0.2699 mL | 1.3497 mL | 2.6995 mL |