Isocytosine

Modify Date: 2024-01-03 15:20:07

Isocytosine Structure
Isocytosine structure
Common Name Isocytosine
CAS Number 108-53-2 Molecular Weight 111.102
Density 1.5±0.1 g/cm3 Boiling Point 393.6±34.0 °C at 760 mmHg
Molecular Formula C4H5N3O Melting Point 275°C
MSDS Chinese USA Flash Point 191.9±25.7 °C
Symbol GHS07
GHS07
Signal Word Warning

 Use of Isocytosine


Isocytosine is a non-natural nucleobase and an isomer of cytosine. It is used in combination with Isoguanine in studies of unnatural nucleic acid analogues of the normal base pairs in DNA and used as a nucleobase of hachimoji RNA[1][2].

 Names

Name 2-amino-4-hydroxypyrimidine
Synonym More Synonyms

 Isocytosine Biological Activity

Description Isocytosine is a non-natural nucleobase and an isomer of cytosine. It is used in combination with Isoguanine in studies of unnatural nucleic acid analogues of the normal base pairs in DNA and used as a nucleobase of hachimoji RNA[1][2].
Related Catalog
References

[1]. "Isocytosine". Molecule of the Week. American Chemical Society. Retrieved November 1, 2012.

[2]. Hoshika S, et al. Hachimoji DNA and RNA: A genetic system with eight building blocks. Science. 2019 Feb 22;363(6429):884-887.

 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.

 Safety Information

Symbol GHS07
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

 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%

 Articles29

More 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,...

 Synonyms

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-
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