Introduction：Basic information about CAS 81-55-0|1,8-Dihydroxy-4,5-dinitroanthraquinone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1,8-Dihydroxy-4,5-dinitroanthraquinone |
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| CAS Number | 81-55-0 | Molecular Weight | 330.206 |
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| Density | 1.8±0.1 g/cm3 | Boiling Point | 669.4±55.0 °C at 760 mmHg |
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| Molecular Formula | C14H6N2O8 | Melting Point | 225 °C (dec.)(lit.) |
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| MSDS | ChineseUSA | Flash Point | 280.8±20.0 °C |
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| Symbol |
GHS07 | Signal Word | Warning |
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Names
| Name | 1,8-Dihydroxy-4,5-dinitroanthraquinone |
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| Synonym | More Synonyms |
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1,8-Dihydroxy-4,5-dinitroanthraquinone BiologicalActivity
| Description | 1,8-Dihydroxy-4,5-dinitroanthraquinone (ARDP0006; DHDNE) is a potent inhibitor of serine proteinase NS2B/3, the dengue viral protein. 1,8-Dihydroxy-4,5-dinitroanthraquinone has intermolecular proteinase activity and viral inhibition ability with IC50s of 432 μM and 4.2 μM, respectively. Meanwhile 1,8-Dihydroxy-4,5-dinitroanthraquinone inhibits NS2B/3 cleavage in BHK-21 cells at a dose ranging from 4.2 μM to 432 μM[1]. |
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| Related Catalog | Research Areas >>Infection |
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| In Vitro | 1,8-Dihydroxy-4,5-dinitroanthraquinone (50 μM-2 mM；90 分钟) 抑制 NS2B/3 裂解，并在 100 μM 时显着且显着地作用于 BHK-21 细胞[1]。 |
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| References | [1]. Constant DA, et al. Targeting intramolecular proteinase NS2B/3 cleavages for trans-dominant inhibition of dengue virus. Proc Natl Acad Sci U S A. 2018 Oct 2;115(40):10136-10141. |
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Chemical & Physical Properties
| Density | 1.8±0.1 g/cm3 |
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| Boiling Point | 669.4±55.0 °C at 760 mmHg |
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| Melting Point | 225 °C (dec.)(lit.) |
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| Molecular Formula | C14H6N2O8 |
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| Molecular Weight | 330.206 |
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| Flash Point | 280.8±20.0 °C |
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| Exact Mass | 330.012421 |
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| PSA | 166.24000 |
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| LogP | 4.94 |
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| Vapour Pressure | 0.0±2.1 mmHg at 25°C |
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| Index of Refraction | 1.782 |
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| InChIKey | GJCHQJDEYFYWER-UHFFFAOYSA-N |
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| SMILES | O=C1c2c(O)ccc([N+](=O)[O-])c2C(=O)c2c([N+](=O)[O-])ccc(O)c21 |
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| Stability | Stable. Incompatible with strong oxidizing agents. |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- CB6700000
- CHEMICAL NAME :
- Anthraquinone, 1,8-dihydroxy-4,5-dinitro-
- CAS REGISTRY NUMBER :
- 81-55-0
- BEILSTEIN REFERENCE NO. :
- 2182054
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C14-H6-N2-O8
- MOLECULAR WEIGHT :
- 330.22
- WISWESSER LINE NOTATION :
- L C666 BVIVJ DQ GNW KNW NQ
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 180 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
MUTATION DATA - TYPE OF TEST :
- Mutation in microorganisms
- TEST SYSTEM :
- Bacteria - Salmonella typhimurium
- DOSE/DURATION :
- 10 ug/plate
- REFERENCE :
- ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 9(Suppl 9),1,1987
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Safety Information
| Symbol |
GHS07 |
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| Signal Word | Warning |
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| Hazard Statements | H315-H319-H335 |
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| Precautionary Statements | P261-P305 + P351 + P338 |
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| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
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| Hazard Codes | Xi:Irritant; |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S26-S36 |
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| RIDADR | NONH for all modes of transport |
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| WGK Germany | 3 |
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| RTECS | CB6700000 |
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| HS Code | 2914700090 |
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Customs
| HS Code | 2914700090 |
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| Summary | HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0% |
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Articles2
More Articles
| Catalysed hydrogenation of hydroxynitroanthraquinones in strong acid. Morley JO and Hutcheson R. J. Chem. Technol. Biotechnol. 30(1) , 409-414, (1980)
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| Measurement and Correlation of Derivatized Anthraquinone Solubility in Supercritical Carbon Dioxide. Alwi RS and Tamura K. J. Chem. Eng. Data 60(10) , 3046-3052, (2015)
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Synonyms
| 4,5-Dinitrochrysazin |
| 1,8 DIHYDROXY 4,5 DINITRO AQ |
| 4,5-Dinitrodanthron |
| 1,8-dihydroxy-4,5-dinitroanthra-9,10-quinone |
| 1,8-dihydroxy-4,5-dinitro-anthraquinon |
| Dihydroxy-4,5-dinitroanthraquinone |
| MFCD00019149 |
| 1,8-Dihydroxy-4,5-dinitroanthracene-9,10-dione |
| 1,8-Dihydroxy-4,5-dinitro-anthrachinon |
| 1,8-dihydroxy-4,5-dinitro-anthraquinone |
| 1,8-dihydroxy-4,5-dinitro-9,10-anthracenedione |
| EINECS 201-360-3 |
| 1,8-Dihydroxy-4,5-dinitro-9,10-anthraquinone |
| 1,8-Dihydroxy-4,5-di |
| 9,10-Anthracenedione, 1,8-dihydroxy-4,5-dinitro- |
| 4,5 DINITROCHRYSAZINE |
| 4,5-dinitro-1,8-dihydroxyanthraquinone |
