Virstatin

Modify Date: 2024-01-30 08:14:58

Virstatin Structure
Virstatin structure
Common Name Virstatin
CAS Number 88909-96-0 Molecular Weight 283.28
Density 1.403g/cm3 Boiling Point 536.5ºC at 760 mmHg
Molecular Formula C16H13NO4 Melting Point N/A
MSDS N/A Flash Point 278.3ºC

 Use of Virstatin


Virstatin inhibits the pili system synthesis and prevents A. baumannii biofilm formation. Virstatin also inhibits dimerization of the transcriptional activator ToxT[1][2].

 Names

Name 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoic acid
Synonym More Synonyms

 Virstatin Biological Activity

Description Virstatin inhibits the pili system synthesis and prevents A. baumannii biofilm formation. Virstatin also inhibits dimerization of the transcriptional activator ToxT[1][2].
Related Catalog
Target

ToxT[1]

References

[1]. Nait Chabane Y, et al. Virstatin inhibits biofilm formation and motility of Acinetobacter baumannii. BMC Microbiol. 2014 Mar 12;14:62.  

[2]. Shakhnovich EA, et al. Virstatin inhibits dimerization of the transcriptional activator ToxT. Proc Natl Acad Sci U S A. 2007 Feb 13;104(7):2372-7.  

 Chemical & Physical Properties

Density 1.403g/cm3
Boiling Point 536.5ºC at 760 mmHg
Molecular Formula C16H13NO4
Molecular Weight 283.28
Flash Point 278.3ºC
Exact Mass 283.08400
PSA 76.37000
LogP 1.81750
Index of Refraction 1.672

 MSDS

Material Safety Data Sheet

Section1. Identification of the substance
Product Name: 4-(1,3-Dioxo-1h,3h-benzo[de]isoquinolin-2-yl)-butyric acid
Synonyms:

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

Section3. Composition/information on ingredients.
Ingredient name:4-(1,3-Dioxo-1h,3h-benzo[de]isoquinolin-2-yl)-butyric acid
CAS number:88909-96-0

Section4. First aid measures
Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

Section6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution:Wear approved mask/respirator
Hand precaution:Wear suitable gloves/gauntlets
Skin protection:Wear suitable protective clothing
Eye protection:Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

Section7. Handling and storage
Handling:This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

Section8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section9. Physical and chemical properties
Appearance:Not specified
Boiling point:No data
No data
Melting point:
Flash point:No data
Density:No data
Molecular formula:C16H13NO4
Molecular weight:283.3

Section10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

Section11. Toxicological information
No data.

Section12. Ecological information
No data.

Section13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section14. Transportation information
Non-harzardous for air and ground transportation.

Section15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CF6559500
CHEMICAL NAME :
1H-Benz(de)isoquinoline-2(3H)-butanoic acid, 1,3-dioxo-
CAS REGISTRY NUMBER :
88909-96-0
LAST UPDATED :
199712
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C16-H13-N-O4
MOLECULAR WEIGHT :
283.30

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
4 gm/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - coma Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4598081
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3700 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - coma Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4598081
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
3800 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - coma Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4598081

 Safety Information

HS Code 2933990090

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

Isodibut
1,8-naphthalimide-N-butyric acid
1H-Benz(de)isoquinoline-2(3H)-butanoic acid,1,3-dioxo
Virstatin
4-(N-(1,8-naphthalimide))-n-butyric acid
1,3-Dioxo-1H-benz(de)isoquinoline-2(3H)-butanoic acid
4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid
4-(1,3-dioxo-2,3-dihydro-1H-benzo[d,e]isoquinolin-2-yl)butanoic acid
4-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-butyric acid
1,3-Dioxo-1H-benz(de)isoquinoline-2(3H)-butyric acid
(1,8-naphthalimido)butanoic acid
N-(4-butanoic acid)-1,8-naphthalimide