5-Nitrobarbituric acid

Modify Date: 2024-01-02 21:46:24

5-Nitrobarbituric acid Structure
5-Nitrobarbituric acid structure
 Common Name 5-Nitrobarbituric acid
CAS Number 480-68-2 Molecular Weight 173.084
Density 1.8±0.1 g/cm3 Boiling Point 303.69°C
Molecular Formula C4H3N3O5 Melting Point 180.5°C
MSDS N/A Flash Point N/A

 Use of 5-Nitrobarbituric acid


5-Nitrobarbituric acid is a herpes simplex virus type-1 (HSV-1) inhibitor (IC50=1.7 μM)[1].

 Names

Name 5-Nitrobarbituric acid
Synonym More Synonyms

 5-Nitrobarbituric acid Biological Activity

Description 5-Nitrobarbituric acid is a herpes simplex virus type-1 (HSV-1) inhibitor (IC50=1.7 μM)[1].
Related Catalog
Target

HSV-1:1.7 μM (IC50)

In Vitro 5-Nitrobarbituric acid can inhibit vero cell growth[1]. Cell Cytotoxicity Assay[1] Cell Line: Vero cells Concentration: 0.06-5 μM Incubation Time: 2 hours Result: Showed high cytotoxicity to vero cells.
References

[1]. J V de Julián-Ortiz, et al. Virtual combinatorial syntheses and computational screening of new potential anti-herpes compounds. J Med Chem. 1999 Aug 26;42(17):3308-14.

 Chemical & Physical Properties

Density 1.8±0.1 g/cm3
Boiling Point 303.69°C
Melting Point 180.5°C
Molecular Formula C4H3N3O5
Molecular Weight 173.084
Exact Mass 173.007263
PSA 121.09000
LogP -1.13
Index of Refraction 1.581

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CQ7300000
CHEMICAL NAME :
Barbituric acid, 5-nitro-
CAS REGISTRY NUMBER :
480-68-2
BEILSTEIN REFERENCE NO. :
0180758
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C4-H3-N3-O5
MOLECULAR WEIGHT :
173.10
WISWESSER LINE NOTATION :
T6VMVMV FHJ FNW

HEALTH HAZARD DATA

ACUTE 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
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#01678

 Safety Information

Risk Phrases 36/37/38
Safety Phrases S26-S36/37/39
RTECS CQ7300000
HS Code 2933540000

 Synthetic Route

Barbituric acid structure

Barbituric acid

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~98%

5-Nitrobarbituric acid Structure

5-Nitrobarbitur...

CAS#:480-68-2

Literature: Langlet, Abraham; Latypov, Nikolaj V.; Wellmar, Ulf; Goede, Patrick; Bergman, Jan Tetrahedron Letters, 2000 , vol. 41, # 12 p. 2011 - 2013
violuric acid structure

violuric acid

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~%

5-Nitrobarbituric acid Structure

5-Nitrobarbitur...

CAS#:480-68-2

Literature: Biltz; Sedlatschek Chemische Berichte, 1924 , vol. 57, p. 347
[5,5'-Bipyrimidine]-2,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-hexone structure

[5,5'-Bipyrimid...

CAS#:476-61-9

~%

5-Nitrobarbituric acid Structure

5-Nitrobarbitur...

CAS#:480-68-2

Literature: Baeyer Justus Liebigs Annalen der Chemie, 1863 , vol. 127, p. 230 Justus Liebigs Annalen der Chemie, 1864 , vol. 130, p. 131 Full Text Show Details Schlieper Justus Liebigs Annalen der Chemie, 1845 , vol. 56, p. 24
Barbituric acid structure

Barbituric acid

CAS#:67-52-7

nitric acid structure

nitric acid

CAS#:7697-37-2

~%

5-Nitrobarbituric acid Structure

5-Nitrobarbitur...

CAS#:480-68-2

Literature: Baeyer Justus Liebigs Annalen der Chemie, 1864 , vol. 130, p. 158 Chemische Berichte, 1875 , vol. 8, p. 613 Full Text Show Details Grimaux Bulletin de la Societe Chimique de France, 1879 , vol. <2> 31, p. 147 Annales de Chimie (Cachan, France), 1879 , vol. <5> 17, p. 279
(2,4,6-trioxohexahydropyrimidin-5-yl) carbamimidothioate structure

(2,4,6-trioxohe...

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nitric acid structure

nitric acid

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~%

5-Nitrobarbituric acid Structure

5-Nitrobarbitur...

CAS#:480-68-2

Literature: v.Vogel Justus Liebigs Annalen der Chemie, 1901 , vol. 315, p. 260,264 Full Text Show Details Bartling Justus Liebigs Annalen der Chemie, 1905 , vol. 339, p. 37
nitric acid structure

nitric acid

CAS#:7697-37-2

[5,5'-Bipyrimidine]-2,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-hexone structure

[5,5'-Bipyrimid...

CAS#:476-61-9

~%

5-Nitrobarbituric acid Structure

5-Nitrobarbitur...

CAS#:480-68-2

Literature: Baeyer Justus Liebigs Annalen der Chemie, 1863 , vol. 127, p. 230 Justus Liebigs Annalen der Chemie, 1864 , vol. 130, p. 131 Full Text Show Details Schlieper Justus Liebigs Annalen der Chemie, 1845 , vol. 56, p. 24
nitrous acid structure

nitrous acid

CAS#:7782-77-6

[5,5'-Bipyrimidine]-2,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-hexone structure

[5,5'-Bipyrimid...

CAS#:476-61-9

~%

5-Nitrobarbituric acid Structure

5-Nitrobarbitur...

CAS#:480-68-2

Literature: Baeyer Justus Liebigs Annalen der Chemie, 1863 , vol. 127, p. 230 Justus Liebigs Annalen der Chemie, 1864 , vol. 130, p. 131 Full Text Show Details Schlieper Justus Liebigs Annalen der Chemie, 1845 , vol. 56, p. 24
5-mercapto-barbituric acid structure

5-mercapto-barb...

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nitric acid structure

nitric acid

CAS#:7697-37-2

~%

5-Nitrobarbituric acid Structure

5-Nitrobarbitur...

CAS#:480-68-2

Literature: Trzcinski Chemische Berichte, 1883 , vol. 16, p. 1058
5-bromo-6-hydroxy-5-nitro-dihydro-pyrimidine-2,4-dione structure

5-bromo-6-hydro...

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Water structure

Water

CAS#:7732-18-5

~%

Tribromonitromethane structure

Tribromonitromethane

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5-Nitrobarbituric acid Structure

5-Nitrobarbitur...

CAS#:480-68-2

Detail
Literature: Biltz; Sedlatschek Chemische Berichte, 1924 , vol. 57, p. 347

 Customs

HS Code 2933540000
Summary 2933540000 other derivatives of malonylurea (barbituric acid); salts thereof。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:20.0%

 Synonyms

5-nitro-2,4,6-pyrimidinetrione
EINECS 207-557-0
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-nitro-
5-Nitro-2,4,6(1H,3H,5H)-pyrimidinetrione
5-Nitrobarbituric Acid Trihydrate
NITROBARBITURIC ACID
AURORA KA-3829
5-nitro-barbituricaci
5-nitropyrimidine-2,4,6(1H,3H,5H)-trione
Dilituric Acid Trihydrate
5-Nitrobarbiuricacid
MFCD00006667
DILITURIC ACID
5-NITRO-2,4,6-TRIHYDROXYPYRIMIDINE
5-NitrobarbituricAcid
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