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1MVR

Names

[ CAS No. ]:
613-93-4

[ Name ]:
1MVR

[Synonym ]:
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

Biological Activity

[Description]:

N-Methylbenzamide is a potent phosphodiesterase 10A (PDE10A) inhibitor. N-Methylbenzamide has anti-cancer activity[1][2].

[Related Catalog]:

Research Areas >> Cancer
Signaling 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

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CV5570000
CHEMICAL NAME :
Benzamide, N-methyl-
CAS REGISTRY NUMBER :
613-93-4
BEILSTEIN REFERENCE NO. :
1209880
LAST UPDATED :
199709
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C8-H9-N-O
MOLECULAR WEIGHT :
135.18
WISWESSER LINE NOTATION :
1MVR

HEALTH HAZARD DATA

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

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...


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Related Compounds

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