Physicochemical Properties
| Molecular Formula | C18H20CLN3O4 |
| Molecular Weight | 377.82 |
| Exact Mass | 341.138 |
| CAS # | 16398-39-3 |
| PubChem CID | 12195997 |
| Appearance | Typically exists as solid at room temperature |
| Boiling Point | 514.3ºC at 760mmHg |
| Flash Point | 264.8ºC |
| Vapour Pressure | 1.09E-10mmHg at 25°C |
| Index of Refraction | 1.605 |
| LogP | 3.887 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 26 |
| Complexity | 493 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | QQYWZPWIDBROOG-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C18H19N3O4.ClH/c1-19(2)10-5-11-20-15-6-3-4-7-17(15)25-16-9-8-13(21(23)24)12-14(16)18(20)22;/h3-4,6-9,12H,5,10-11H2,1-2H3;1H |
| Chemical Name | 5-[3-(dimethylamino)propyl]-8-nitrobenzo[b][1,4]benzoxazepin-6-one;hydrochloride |
| Synonyms | CIBA 2330Go hydrochloride |
| 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 | serotonin-norepinephrine reuptake |
| ln Vitro | The in vitro effect of Nitroxazepine (Sintamil), as a modulator alone and in combination with hydroxyurea (HU), on cytotoxicity is studied in 16 cases of human chronic myeloid leukemia (CML). The cytotoxicity of the drugs as a function of the exposure dose (HU, 100 μM; Nitroxazepine, 10 μg/mL) and the exposure time (1 h) to the agent is investigated. Cytotoxicity is evaluated as the inhibition of incorporation of [3H-methyl]thymidine in the nucleic acids of CML cells . Cytotoxicity of HU is greatly enhanced (P<0.001) by 1 h exposure of the CML cells to Nitroxazepine. The present data indicate that Nitroxazepine potentiates the cytotoxic activity of HU in CML cells[1]. Nitroxazepine is indicated for the treatment of nocturnal enuresis. Nitroxazepine has similar effects to imipramine, but with certain advantages, such as lower anticholinergic side effects. |
| References |
[1]. Augmentation of hydroxyurea cytotoxicity by sintamil in human chronic myeloid leukemia cells. Tumori. 1986 Oct 31;72(5):507-10. |
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 | 2.6468 mL | 13.2338 mL | 26.4676 mL | |
| 5 mM | 0.5294 mL | 2.6468 mL | 5.2935 mL | |
| 10 mM | 0.2647 mL | 1.3234 mL | 2.6468 mL |