Pyrimidine-2,4,5,6(1H,3H)-tetraone hydrate

Modify Date: 2024-01-09 18:07:20

Pyrimidine-2,4,5,6(1H,3H)-tetraone hydrate Structure
Pyrimidine-2,4,5,6(1H,3H)-tetraone hydrate structure
 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 Chinese USA Flash Point 180ºC
Symbol GHS07
GHS07		 Signal Word Warning

 Use of Pyrimidine-2,4,5,6(1H,3H)-tetraone hydrate


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].

 Names

Name Alloxan monohydrate
Synonym More Synonyms

  Biological Activity

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
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
Storage condition 2-8°C
Water Solubility H2O: may be hazy yellow

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UW0492000
CHEMICAL NAME :
2,4,5,6(1H,3H)-Pyrimidinetetrone, monohydrate
CAS REGISTRY NUMBER :
2244-11-3
LAST UPDATED :
199603
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C4-H2-N2-O4.H2-O
MOLECULAR WEIGHT :
160.10
WISWESSER LINE NOTATION :
T6MVMVVVJ &QH

HEALTH HAZARD DATA

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

 Safety Information

Symbol GHS07
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

 Precursor & DownStream

Precursor  0

DownStream  2

 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

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Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).

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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)
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Chemsrc provides CAS#:2244-11-3 MSDS, density, melting point, boiling point, structure, etc. Its name is Pyrimidine-2,4,5,6(1H,3H)-tetraone hydrate>> amp version: Pyrimidine-2,4,5,6(1H,3H)-tetraone hydrate

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