5-Azacytosine - CAS 931-86-2
Catalog: |
BB040799 |
Product Name: |
5-Azacytosine |
CAS: |
931-86-2 |
Synonyms: |
6-amino-1H-1,3,5-triazin-2-one |
Related CAS: | 4040-10-2
|
IUPAC Name: | 6-amino-1H-1,3,5-triazin-2-one |
Description: | Inhibits the growth of Escherichia coli. Azacitidine USP Related Compound A. |
Molecular Weight: | 112.09 |
Molecular Formula: | C3H4N4O |
Canonical SMILES: | C1=NC(=O)NC(=N1)N |
InChI: | InChI=1S/C3H4N4O/c4-2-5-1-6-3(8)7-2/h1H,(H3,4,5,6,7,8) |
InChI Key: | MFEFTTYGMZOIKO-UHFFFAOYSA-N |
Boiling Point: | 503.1 °C at 760 mmHg |
Melting Point: | 300 °C |
Purity: | 95 % |
Density: | 1.86 g/cm3 |
Appearance: | Crystalline solid |
Storage: | Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00006033 |
LogP: | -0.67170 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113318714-A | Monodisperse silicon dioxide microsphere for chromatography and preparation method and application thereof | 20210526 |
CN-113201039-A | Preparation method of medical intermediate 2',3',5' -triacetyl azacitidine | 20210519 |
CN-112618699-A | Reagent capable of providing interleukin 10 with effective treatment amount and antitumor application thereof | 20201231 |
CN-112300222-A | Azacitidine refining method with high purity and low solvent residue | 20201126 |
CN-112250672-A | Nucleoside base derivative and preparation method and application thereof | 20201021 |
PMID | Publication Date | Title | Journal |
22918045 | 20121115 | Preparation and adsorption performance of 5-azacytosine-functionalized hydrothermal carbon for selective solid-phase extraction of uranium | Journal of colloid and interface science |
22854677 | 20120901 | New cytosine derivatives as inhibitors of DNA methylation | European journal of medicinal chemistry |
22650240 | 20120501 | 5-azacytosine compounds in medicinal chemistry: current stage and future perspectives | Future medicinal chemistry |
20549638 | 20120101 | Influence of cobalt uptake by Vicia faba seeds on chlorophyll morphosis induction, SOD polymorphism, and DNA methylation | Environmental toxicology |
22123662 | 20120101 | Current diagnosis and management of infectious mononucleosis | Current opinion in hematology |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 112.03851076 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 112.03851076 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 79.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.2 |
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