Isocytosine

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Names

[ CAS No. ]:
108-53-2

[ Name ]:
Isocytosine

[Synonym ]:
4(1H)-Pyrimidinone, 2-amino- (9CI)
2-amino-4-oxo-3,4-dihydropyrimidine
4(3H)-pyrimidinone, 2-amino-
2-amino-3H-pyrimidin-4-one
Isocytosine
2-Amino-4-pyrimidone
2-Aminopyrimidin-4-ol
2-amino-4-hydroxypyrimine
2-Amino-4-hydroxypyrimidine
4-Hydroxy-2-aminopyrimidine
2-amino-1H-pyrimidin-6-one
MFCD00057557
2-Amino-4-hydroxypyrimidine,2-Aminouracil
2-Aminopyrimidin-4(1H)-one
Iso Cytosine
2-Amino-4(1H)-pyrimidinone
2-Aminopyrimidin-4(3H)-one
2-Amino-6-hydroxpyrimidine
EINECS 203-592-0
2-aminouracil
4-Pyrimidinol, 2-amino-

Chemical & Physical Properties

[ Density]:
1.5±0.1 g/cm3

[ Boiling Point ]:
393.6±34.0 °C at 760 mmHg

[ Melting Point ]:
275°C

[ Molecular Formula ]:
C4H5N3O

[ Molecular Weight ]:
111.102

[ Flash Point ]:
191.9±25.7 °C

[ Exact Mass ]:
111.043259

[ PSA ]:
72.03000

[ LogP ]:
-1.01

[ Vapour Pressure ]:
0.0±0.9 mmHg at 25°C

[ Index of Refraction ]:
1.668

[ Storage condition ]:
Room temperature.

MSDS

Click to get detail MSDS

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H319

[ Precautionary Statements ]:
P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R22;R36

[ Safety Phrases ]:
S26

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ HS Code ]:
2933599090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1,3-Dimethyluracil
  • Guanidine hydrochloride
  • (±)-Malic Acid
  • guanidine
  • 2-Aminopyrimidine
  • (Z)-Methanimidic acid
  • Imidazo[1,2-a]pyrimidin-5(1H)-one
  • 4-ETHOXY-2-HYDROXYPYRIMIDINE
  • 2-Amino-4-chloropyrimidine
  • 2-Methylthio-4-pyrimidone

DownStream

  • 2-Amino-4-chloropyrimidine
  • Uracil
  • 2-amino-5-bromo-4-pyrimidinol
  • Imidazo[1,2-a]pyrimidin-5(1H)-one
  • imidazolopyrimidine-7(8H)-one
  • Isocytosine
  • 4(1H)-Pyrimidinone,2-amino-5-nitro-
  • tert-butyl (4-hydroxypyrimidin-2-yl)carbamate

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%

Articles

Lead optimization of isocytosine-derived xanthine oxidase inhibitors.

Bioorg. Med. Chem. Lett. 23(3) , 834-8, (2013)

We report our attempts at improving the oral efficacy of low-nanomolar inhibitors of xanthine oxidase from isocytosine series through chemical modifications. Our lead compound had earlier shown good i...

Isocytosine-based inhibitors of xanthine oxidase: Design, synthesis, SAR, PK and in vivo efficacy in rat model of hyperuricemia

Bioorg. Med. Chem. Lett. 22(24) , 7543-6, (2012)

Structure-activity relationship studies were carried out for lead generation following structure-guided design approach from an isocytosine scaffold identified earlier for xanthine oxidase inhibition....

Indirect photochemical transformations of acyclovir and penciclovir in aquatic environments increase ecological risk.

Environ. Toxicol. Chem. 35 , 584-92, (2016)

Acyclovir and penciclovir, 2 antiviral drugs, are increasingly detected in aquatic environments. The present study explores the natural photochemical transformation mechanisms and fate of these drugs,...


More Articles

Related Compounds

  • isocytosine hydrochloride
  • 6-(p-Hydroxyphenylazo)isocytosine
  • 1-((2-Hydroxethoxy)methyl)-isocytosine
  • 6-[3,4,5-tri(n-butyloxy)phenyl]isocytosine
  • 5-(2,3-O-isopropylidene-β-D-ribofuranosyl)isocytosine
  • 1-(3,5-anhydro-2-deoxy-β-D-threo-pentofuranosyl)isocytosine
  • 1-[4-(2,6-dioxo-3-piperidinyl)-2-pyridinyl]-4-Piperidinecarboxaldehyde
  • 2,3-Dihydro-8-(trifluoromethyl)-4H-1-benzopyran-4-one O-methyloxime
  • Aspartic acid, N-thiazolo[5,4-d]pyrimidin-7-yl-, diethyl ester, DL-
  • 1-Naphthalenecarbonitrile, 2,5-diamino-3-chloro-5,6,7,8-tetrahydro-
  • (1-(3-(2,6-Bis(benzyloxy)pyridin-3-yl)phenyl)piperidin-4-yl)methanol
  • 3-Methyl-2-buten-1-yl 3-(4-methoxyphenyl)-2-propenoate
  • rac-(1R,2R)-2-(3-bromothiophen-2-yl)cyclopropan-1-amine
  • 2,6-Dichloro-3-fluoro-5-iodopyridin-4-amine
  • 1-[5-(2,6-Dioxo-3-piperidinyl)-2-pyridinyl]-4-piperidineacetic acid
  • 3-(4-(4-(Hydroxymethyl)piperidin-1-yl)phenyl)piperidine-2,6-dione
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