1MVR

Modify Date: 2024-01-01 18:47:38

1MVR Structure
1MVR structure
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
GHS07
Signal Word Warning

 Use of 1MVR


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

 Names

Name n-methylbenzamide
Synonym More Synonyms

 1MVR Biological Activity

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

Name: N-Methylbenzamide 99+% Material Safety Data Sheet
Synonym: N-Methylbenzenecarboxamide
CAS: 613-93-4
Section 1 - Chemical Product MSDS Name:N-Methylbenzamide 99+% Material Safety Data Sheet
Synonym:N-Methylbenzenecarboxamide

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
613-93-4 N-Methylbenzamide 99+% 210-362-3
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam. Use agent most appropriate to extinguish fire.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 613-93-4: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 167 deg C @ 11.00mmHg
Freezing/Melting Point: 76 - 78 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C8H9NO
Molecular Weight: 135.17

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 613-93-4: CV5570000 LD50/LC50:
CAS# 613-93-4: Oral, mouse: LD50 = 840 mg/kg.
Carcinogenicity:
N-Methylbenzamide - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION


Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 613-93-4: 1
Canada
CAS# 613-93-4 is listed on Canada's NDSL List.
CAS# 613-93-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 613-93-4 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 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
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