Introduction：Basic information about CAS 88909-96-0|Virstatin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Virstatin |
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| CAS Number | 88909-96-0 | Molecular Weight | 283.28 |
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| Density | 1.403g/cm3 | Boiling Point | 536.5ºC at 760 mmHg |
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| Molecular Formula | C16H13NO4 | Melting Point | / |
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| MSDS | / | Flash Point | 278.3ºC |
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Names
| Name | 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoic acid |
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| Synonym | More Synonyms |
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Virstatin BiologicalActivity
| Description | Virstatin inhibits the pili system synthesis and prevents A. baumannii biofilm formation. Virstatin also inhibits dimerization of the transcriptional activator ToxT[1][2]. |
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| Related Catalog | Research Areas >>InfectionSignaling Pathways >>Others >>Others |
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| Target | ToxT[1] |
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| 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. |
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Chemical & Physical Properties
| Density | 1.403g/cm3 |
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| Boiling Point | 536.5ºC at 760 mmHg |
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| Molecular Formula | C16H13NO4 |
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| Molecular Weight | 283.28 |
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| Flash Point | 278.3ºC |
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| Exact Mass | 283.08400 |
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| PSA | 76.37000 |
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| LogP | 1.81750 |
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| Index of Refraction | 1.672 |
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| InChIKey | ZHXRDXTYPCPBTI-UHFFFAOYSA-N |
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| SMILES | O=C(O)CCCN1C(=O)c2cccc3cccc(c23)C1=O |
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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 DATAACUTE 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
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Safety Information
Customs
| HS Code | 2933990090 |
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| 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% |
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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 |
