CAS 613-93-4|1MVR
| Common Name | 1MVR | ||
|---|---|---|---|
| CAS Number | 613-93-4 | Molecular Weight | 135.163 |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 254.9±23.0 °C at 760 mmHg |
| Molecular Formula | C8H9NO | Melting Point | 76-78 °C(lit.) |
| MSDS | USA | Flash Point | 145.6±11.9 °C |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | n-methylbenzamide |
|---|---|
| Synonym | More Synonyms |
1MVR BiologicalActivity
| Description | N-Methylbenzamide is a potent phosphodiesterase 10A (PDE10A) inhibitor. N-Methylbenzamide has anti-cancer activity[1][2]. |
|---|---|
| Related Catalog | Research Areas >>CancerSignaling Pathways >>Metabolic Enzyme/Protease >>Phosphodiesterase (PDE) |
| Target | PDE10A |
| In Vivo | N-Methylbenzamide (compound 21; 100-800 mg/kg; ip; for 17 days) is active against tumor in donor female BDF mice (18-23 g)[2]. |
| References | [1]. Kilburn JP, et al. N-Methylanilide and N-methylbenzamide derivatives as phosphodiesterase 10A (PDE10A) inhibitors. Bioorg Med Chem. 2013 Oct 1;21(19):6053-62. [2]. Gate, E. N., et al. Structural studies on bioactive compounds. 4. A structure-antitumor activity study on analogs of N-methylformamide. Journal of Medicinal Chemistry, 1986, 29(6), 1046–1052. |
Chemical & Physical Properties
| Density | 1.0±0.1 g/cm3 |
|---|---|
| Boiling Point | 254.9±23.0 °C at 760 mmHg |
| Melting Point | 76-78 °C(lit.) |
| Molecular Formula | C8H9NO |
| Molecular Weight | 135.163 |
| Flash Point | 145.6±11.9 °C |
| Exact Mass | 135.068420 |
| PSA | 29.10000 |
| LogP | 1.66 |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.519 |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 840 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 19,20,1971
Safety Information
| Symbol | GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H302 |
| Hazard Codes | Xn |
| Risk Phrases | R20/21/22 |
| Safety Phrases | S24/25 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 1 |
| RTECS | CV5570000 |
Articles7
More Articles| Thermodynamic analysis of the binding of aromatic hydroxamic acid analogues to ferric horseradish peroxidase. Biochemistry 40(46) , 13980-9, (2001) Peroxidases typically bind their reducing substrates weakly, with K(d) values in the millimolar range. The binding of benzhydroxamic acid (BHA) to ferric horseradish peroxidase isoenzyme C (HRPC) [K(d... | |
| N-Methylanilide and N-methylbenzamide derivatives as phosphodiesterase 10A (PDE10A) inhibitors. Bioorg. Med. Chem. 21(19) , 6053-62, (2013) PDE10A is a recently identified phosphodiesterase with a quite remarkable localization since the protein is abundant only in brain tissue. Based on this unique localization, research has focused exten... | |
| Molecular electrostatic potential of orthopramides: implications for their interaction with the D-2 dopamine receptor. J. Med. Chem. 29(5) , 600-6, (1986) The electronic properties of orthopramides, a group of selective D-2 dopamine receptor antagonists, were investigated by calculating molecular electrostatic potentials (MEP) of model compounds with th... |
Synonyms
| N-MethylbenzaMide 10GR |
| n-methylbenzenecarboxamide |
| N-Methylbenzamide |
| N-Methylbenzenamide |
| n-methyl-benzamid |
| N-methyl benzamide |
| EINECS 210-362-3 |
| Benzamide,N-methyl-(6CI,7CI,8CI,9CI) |
| MFCD00011642 |
| Benzamide, N-methyl- |
| 1MVR |
