CAS 944-73-0|1,3-Dimethyluric acid

Introduction：Basic information about CAS 944-73-0|1,3-Dimethyluric acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. 1,3-Dimethyluric acid BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Articles29
8. Synonyms

Common Name	1,3-Dimethyluric acid
CAS Number	944-73-0	Molecular Weight	196.16300
Density	1.63g/cm3	Boiling Point	520.2ºC at 760mmHg
Molecular Formula	C₇H₈N₄O₃	Melting Point	≥300ºC(lit.)
MSDS	ChineseUSA	Flash Point	268.4ºC

Names

Name	1,3-dimethyluric acid
Synonym	More Synonyms

1,3-Dimethyluric acid BiologicalActivity

Description	1,3-Dimethyluric acid is a product of theophylline metabolism in man. 1,3-Dimethyluric acid is one of the purine components in urinary calculi.
Related Catalog	Natural Products >>OthersResearch Areas >>Others
Target	Human Endogenous Metabolite

Chemical & Physical Properties

Density	1.63g/cm3
Boiling Point	520.2ºC at 760mmHg
Melting Point	≥300ºC(lit.)
Molecular Formula	C₇H₈N₄O₃
Molecular Weight	196.16300
Flash Point	268.4ºC
Exact Mass	196.06000
PSA	92.65000
Index of Refraction	1.675
InChIKey	OTSBKHHWSQYEHK-UHFFFAOYSA-N
SMILES	Cn1c(=O)c2[nH]c(=O)[nH]c2n(C)c1=O
Storage condition	−20°C
Water Solubility	1 M NH4OH: soluble50mg/mL, clear to slightly hazy, colorless to faintly yellow

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UP0783700

CHEMICAL NAME :: 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-1,3-dimethyl-

CAS REGISTRY NUMBER :: 944-73-0

BEILSTEIN REFERENCE NO. :: 0193698

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C7-H8-N4-O3

MOLECULAR WEIGHT :: 196.19

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 :: >2 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JKXXAF Japanese Kokai Tokyo Koho Patents. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #93-43463

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >2 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JKXXAF Japanese Kokai Tokyo Koho Patents. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #93-43463

Safety Information

Personal Protective Equipment	Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes	Xi
Safety Phrases	S24/25
RIDADR	NONH for all modes of transport
WGK Germany	2
RTECS	UP0783700
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%

Articles29

Inhibition of CTP synthase from Escherichia coli by xanthines and uric acids.

Bioorg. Med. Chem. Lett. 20 , 141-4, (2010)

CTP synthase (CTPS) catalyzes the conversion of UTP to CTP and is a recognized target for the development of anticancer, antiviral, and antiprotozoal agents. Xanthine and related compounds inhibit CTP...

Uric acid may inhibit glucose-induced insulin secretion via binding to an essential arginine residue in rat pancreatic beta-cells.

Bioorg. Med. Chem. Lett. 15 , 1181-4, (2005)

Uric acid (1a) suppresses basal insulin release in isolated rat pancreatic islets and inhibition of glucose-stimulated insulin secretion (GSIS) occurs right at hyperuricaemic levels (0.4 mM). Converse...

Effects of CYP inducers and inhibitors on the pharmacokinetics of intravenous theophylline in rats: involvement of CYP1A1/2 in the formation of 1,3-DMU.

J. Pharm. Pharmacol. 60(1) , 45-53, (2008)

The types of hepatic cytochrome P450 (CYP) isozymes responsible for the metabolism of theophylline and for the formation of 1,3-dimethyluric acid (1,3-DMU) in rats in-vivo does not seem to have been s...

Synonyms

EINECS 213-410-1

1,3-DIMETHYLURIC ACID

MFCD00009740

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