| Identification | More | [Name]
5-Azacytosine | [CAS]
931-86-2 | [Synonyms]
2-Amino-4-hydroxy-1,3,5-triazine
2-AMINO-4-HYDROXY-S-TRIAZINE
4-AMINO-1,3,5-TRIAZIN-2-ONE
4-AMINO-1,3,5-TRIAZINE-2[1H]-ONE
4-AMINO-S-TRIAZIN-2(1H)-ONE
5-AZACYTOSINE
4-amino-1,3,5-triazin-2(1h)-one
4-amino-s-triazin-2(1h)-on
5-triazin-2(1h)-one,4-amino-3
5-Azacytosine,98%
AZACYTOSINE
4-amino-s-triazin-2-o
5-AZACYTOSINE (DRY WT.), MAY CONT. UP TO CA 7% WATER
6-Amino-1H-[1,3,5]triazin-2-one
4-Amino-1H-[1,3,5]triazin-2-one
5-Azacytosine, 98% (dry wt.), may cont. up to ca 7% water
5-Azacytosine Hydrate
2-Hydroxy-4-aminotriazine
4-Amino-2-hydroxy-1,3,5-triazine
4-Amino-2-triazin-2(1H)-one | [EINECS(EC#)]
213-242-9 | [Molecular Formula]
C3H4N4O | [MDL Number]
MFCD00006033 | [Molecular Weight]
112.09 | [MOL File]
931-86-2.mol |
| Chemical Properties | Back Directory | [Appearance]
Crystalline Solid | [Melting point ]
>300 °C (lit.) | [Boiling point ]
209.98°C (rough estimate) | [density ]
1.86 | [refractive index ]
1.8010 (estimate) | [storage temp. ]
Keep in dark place,Inert atmosphere,2-8°C | [solubility ]
Aqueous Base (Slightly, Heated), DMSO (Slightly, Heated) | [form ]
Solid | [pka]
7.61±0.10(Predicted) | [color ]
White to Off-White | [Usage]
Inhibits the growth of Escherichia coli | [BRN ]
116378 | [Major Application]
pharmaceutical (small molecule) | [InChI]
InChI=1S/C3H4N4O/c4-2-5-1-6-3(8)7-2/h1H,(H3,4,5,6,7,8) | [InChIKey]
MFEFTTYGMZOIKO-UHFFFAOYSA-N | [SMILES]
N1C(N)=NC=NC1=O | [CAS DataBase Reference]
931-86-2(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302 | [Precautionary statements ]
P301+P312+P330 | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [WGK Germany ]
3
| [RTECS ]
XZ2854300
| [HS Code ]
29336900 | [Storage Class]
11 - Combustible Solids |
| Hazard Information | Back Directory | [Chemical Properties]
Crystalline Solid | [Uses]
5-Azacytosine can inhibits the growth of Escherichia coli and used as the most effective cytosine mimics for the design of novel antiviral and anti-tumor drug candidates.
| [Uses]
Used as the most effective cytosine mimics for the design of novel antiviral and anti-tumor drug candidates. | [Definition]
ChEBI: A monoamino-1,3,5-triazine that is cytosine in which the aromatic CH at position 5 is replaced by a nitrogen. | [Synthesis]
(1) Add 1.5Kg of anhydrous formic acid (99.5% purity), 2.5kg of dicyandiamide and 0.005Kg of p-toluenesulfonic acid catalyst to a 10L autoclave. Under the condition of sealing and stirring, the reaction system was slowly warmed up to 110°C and the reaction pressure was maintained. After the reaction was completed, the temperature was slowly cooled down to room temperature to obtain a white solid product. (2) The resulting white solid was transferred to a 50L glass reactor and 10L of dilute hydrochloric acid solution with a mass concentration of 5% was added. Heating was refluxed for 30 minutes until the solution was clarified. Subsequently, the mixture was filtered through a cartridge into a crystallizer. A 30% ammonia solution was added to the crystallizer and the pH was adjusted to 6. White crystals were precipitated. After centrifugation and drying in a hot air oven, 2.8-5 kg of 6-amino-1,3,5-triazin-2(1H)-one (85% yield as dicyandiamide) was finally obtained. | [References]
[1] Patent: CN105837524, 2016, A. Location in patent: Paragraph 0042; 0043; 0044; 0045; 0046; 0047; 0048-0079
[2] Chemische Berichte, 1954, vol. 87, p. 19,23
[3] Archiv der Pharmazie (Weinheim, Germany), 1955, vol. 288, p. 139
[4] Patent: CN104402836, 2016, B. Location in patent: Paragraph 0025; 0026; 0027; 0028 |
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