CAS 108-53-2

isocytosine

Description:

Isocytosine, with the CAS number 108-53-2, is a nitrogenous base that is an isomer of cytosine, one of the four primary nucleobases in the nucleic acids DNA and RNA. It features a pyrimidine ring structure, which is characterized by a six-membered ring containing two nitrogen atoms at positions 1 and 3. Isocytosine is distinguished by its unique arrangement of functional groups, which includes an amino group and a hydroxyl group, contributing to its chemical reactivity and potential biological roles. This compound is less commonly encountered than its more prevalent isomer, cytosine, and is of interest in biochemical research, particularly in studies related to nucleic acid structure and function. Isocytosine can participate in hydrogen bonding, which is crucial for base pairing in nucleic acids, although its stability and pairing properties may differ from those of cytosine. Overall, isocytosine serves as a valuable subject for understanding the nuances of nucleobase interactions and the broader implications in molecular biology.

Formula: C₄H₅N₃O

InChI: InChI=1/C4H5N3O/c5-4-6-2-1-3(8)7-4/h1-2H,(H3,5,6,7,8)

InChI key: InChIKey=XQCZBXHVTFVIFE-UHFFFAOYSA-N

SMILES: O=C1NC(N)=NC=C1

Synonyms:

• 2-Amino-1,4-dihydropyrimidin-4-one
• 2-Amino-1H-pyrimidin-4-one
• 2-Amino-1H-pyrimidin-6-one
• 2-Amino-3,4-Dihydropyrimidin-4-One
• 2-Amino-4(1H)-pyrimidinone
• 2-Amino-4-Hydroxypyrimidine
• 2-Amino-4-pyrimidinol
• 2-Amino-4-pyrimidone
• 2-Amino-6-hydroxypyrimidine
• 2-Aminouracil
• 2-aminopyrimidin-4(3H)-one
• 4(1H)-Pyrimidinone, 2-amino-
• NSC 49118
• Isocytosine
• 2-Aminopyrimidine-4(1H)-one
• 2-Aminopyrimidin-4-ol
• 2-AMINO-4-HYDROXYPYRIMIDINE 97%
• 2-Amino-6-hydroxpyrimidine
• 4(1H)-Pyrimidinone, 2-amino-(9CI)
• 2-AMINO-4-HYDROXYPYRIMIDINE/ISOCYTOSINE
• 4-HYDROXY-2-AMINOPYRIMIDINE
• 2-Aminopyrimidine-4(3H)-one
• 2-Amino-1,4-dihydropyrimidine-4-one
• 2-AMINO-4(3H)-PYRIMIDONE 97%
• 4-HYDROXY-2-AMINOPYRIMIDINE 97%
• 2-amino-4-hydroxypyrimine

Isocytosine

CAS: 108-53-2

Formula: C₄H₅N₃O

Purity: >98.0%(T)(HPLC)

Color and Shape: White to Light yellow powder to crystal

Molecular weight: 111.10

Ref: 3B-I0814

Isocytosine, 99%

CAS: 108-53-2

Isocytosine (2-aminouracil) is an isomer of cytosine used in physical chemical studies involving metal complex binding, hydrogen-bonding, and tautomerism and proton transfer effects in nucleobases. This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio

Formula: C₄H₅N₃O

Purity: 99%

Molecular weight: 111.10

Ref: 02-H54228

2-AMinopyriMidin-4(1H)-one

CAS: 108-53-2

Formula: C₄H₅N₃O

Purity: 95%

Color and Shape: Solid

Molecular weight: 111.1020

Ref: IN-DA003R3R

2-Amino-4-hydroxypyrimidine

CAS: 108-53-2

Ref: 7W-GK2872

2-Amino-1H-pyrimidin-6-one

CAS: 108-53-2

2-Amino-1H-pyrimidin-6-one

Purity: 98%

Molecular weight: 111.10g/mol

Ref: 54-OR480710

Isocytosine

CAS: 108-53-2

Compound PDK0016, with CAS No. 108-53-2, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound PDK0016 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.

Formula: C₄H₅N₃O

Color and Shape: White To Off-White Solid

Molecular weight: 111.1

Ref: TM-PDK0016

Isocytosine

CAS: 108-53-2

Formula: C₄H₅N₃O

Purity: ≥ 98.0% (dried basis)

Color and Shape: White to off-white powder

Molecular weight: 111.10

Ref: 7W-GK8663

Iso Cytosine

Controlled Product

CAS: 108-53-2

Applications A useful intermediate for chemical modifications of base and sugar moieties in natural nucleosides.
References Sashaki, T., et al.: J. Org. Chem., 40(1), 106 (1975)

Formula: C₄H₅N₃O

Color and Shape: Neat

Molecular weight: 111.10

Ref: TR-I812500

Isocytosine

CAS: 108-53-2

Formula: C₄H₅N₃O

Purity: 98.0%

Color and Shape: Solid

Molecular weight: 111.104

Ref: 10-F043460

Isocytosine

CAS: 108-53-2

Isocytosine is a prodrug that has been synthesized with the intramolecular hydrogen on the nitrogen atoms, which makes it more chemically stable. Isocytosine is a reactive molecule, and can react with tautomers to form isocytosine derivatives. Isocytosine contains three hydrogen atoms that are transferable through reactions to other molecules. The chemical stability of isocytosine allows for its use in wastewater treatment. It also has metabolic effects, such as the inhibition of colorectal adenocarcinoma and metabolic disorders. Isocytosine can be used as a model system for studying transfer reactions and reaction mechanisms.

Formula: C₄H₅N₃O

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 111.1 g/mol

Ref: 3D-FI07235