CAS 2244-11-3|Pyrimidine-2,4,5,6(1H,3H)-tetraone hydrate
Introduction：Basic information about CAS 2244-11-3|Pyrimidine-2,4,5,6(1H,3H)-tetraone hydrate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Pyrimidine-2,4,5,6(1H,3H)-tetraone hydrate | ||
|---|---|---|---|
| CAS Number | 2244-11-3 | Molecular Weight | 160.085 |
| Density | 1.681g/cm3 | Boiling Point | 374.1ºC at 760 mmHg |
| Molecular Formula | C4H4N2O5 | Melting Point | 255 °C (dec.)(lit.) |
| MSDS | ChineseUSA | Flash Point | 180ºC |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | Alloxan monohydrate |
|---|---|
| Synonym | More Synonyms |
BiologicalActivity
| Description | Alloxan hydrate is a diabetogenic agent to induce diabetes. Alloxan hydrate is a proteasome inhibitor. Alloxan causes diabetes in experimental animals through its ability to destroy the insulin-secreting B-cells of the pancreas[1][2]. |
|---|---|
| Related Catalog | Research Areas >>Metabolic DiseaseSignaling Pathways >>Metabolic Enzyme/Protease >>Proteasome |
| In Vitro | Alloxan hydrate inhibits the peptidase activities of the purified 26S and 20S proteasomes[1]. |
| References | [1]. Zhou W, et al. Diabetogenic agent alloxan is a proteasome inhibitor. Biochem Biophys Res Commun. 2017;488(2):400-406. [2]. Munday R, et al. The relationship between the physicochemical properties and the biological effects of alloxan and several N-alkyl substituted alloxan derivatives. J Endocrinol. 1993;139(1):153-163. |
Chemical & Physical Properties
| Density | 1.681g/cm3 |
|---|---|
| Boiling Point | 374.1ºC at 760 mmHg |
| Melting Point | 255 °C (dec.)(lit.) |
| Molecular Formula | C4H4N2O5 |
| Molecular Weight | 160.085 |
| Flash Point | 180ºC |
| Exact Mass | 160.012024 |
| PSA | 115.73000 |
| Vapour Pressure | 8.59E-07mmHg at 25°C |
| InChIKey | DSXMTJRUNLATRP-UHFFFAOYSA-N |
| SMILES | O.O=C1NC(=O)C(=O)C(=O)N1 |
| Storage condition | 2-8°C |
| Water Solubility | H2O: may be hazy yellow |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Mammal - pig
- DOSE/DURATION :
- 200 mg/kg
- TOXIC EFFECTS :
- Endocrine - diabetes mellitus Endocrine - hyperglycemia
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - hamster
- DOSE/DURATION :
- 65400 ug/kg
- TOXIC EFFECTS :
- Gastrointestinal - other changes
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intravenous
- DOSE :
- 60 mg/kg
- SEX/DURATION :
- female 9 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Specific Developmental Abnormalities - Central Nervous System
MUTATION DATA - TEST SYSTEM :
- Insect - Drosophila melanogaster
- DOSE/DURATION :
- 1 pph
- REFERENCE :
- ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 7,325,1985
- TEST SYSTEM :
- Insect - Drosophila melanogaster
- DOSE/DURATION :
- 1 pph
- REFERENCE :
- ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 7,325,1985
Safety Information
| Symbol | GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H302 + H312 + H332 |
| Precautionary Statements | P280 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xn:Harmful; |
| Risk Phrases | R20/21/22 |
| Safety Phrases | S36 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | UW0492000 |
| HS Code | 29335995 |
Customs
| HS Code | 2933599090 |
|---|---|
| Summary | 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
Articles20
More Articles| Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps). J. Sci. Ind. Res. 65(10) , 808, (2006) Drug-induced liver injury (DILI) is a significant concern in drug development due to the poor concordance between preclinical and clinical findings of liver toxicity. We hypothesized that the DILI typ... | |
| Developing structure-activity relationships for the prediction of hepatotoxicity. Chem. Res. Toxicol. 23 , 1215-22, (2010) Drug-induced liver injury is a major issue of concern and has led to the withdrawal of a significant number of marketed drugs. An understanding of structure-activity relationships (SARs) of chemicals ... | |
| A predictive ligand-based Bayesian model for human drug-induced liver injury. Drug Metab. Dispos. 38 , 2302-8, (2010) Drug-induced liver injury (DILI) is one of the most important reasons for drug development failure at both preapproval and postapproval stages. There has been increased interest in developing predicti... |
Synonyms
| Mesoxalylcarbamide monohydrate |
| 2,4,5,6-Tetraoxohexahydropyrimidine hydrate |
| MFCD00149399 |
| 2,4,5,6-Tetraoxypyrimidine |
| 2,4,5,6(1H,3H)-Pyrimidinetetrone hydrate |
| alloxan hydrate |
| 2,4,5,6(1H,3H)-Pyrimidinetetrone hydrate (1:1) |
| ALLOXAN MONOHYDRATE |
| alloxane monohydrate |
| 1,3-dihydropyrimidine-2,4,5,6-tetraone,hydrate |
| 2,4,5,6(1H,3H)-Pyrimidinetetrone, hydrate (1:1) |
| Alloxan-monohydrat |
| 5,6-Dioxyuracil |
| alloxane hydrate |
| Alloxan,monohydrate |
| Pyrimidine-2,4,5,6(1H,3H)-tetraone hydrate |
| EINECS 251-501-8 |
| Pyrimidine-2,4,5,6(1H,3H)-tetrone hydrate (1:1) |
