基本情報
- CAS
103829-56-7- 標準SMILES
O=NNc1cnccn1- InChIKey
AUWFXUHWMBMPTI-UHFFFAOYSA-N- 分子式
- C4H4N4O
- 平均分子量
- 124.1 g/mol
- 単同位体質量
- 124.03851076
概要
Pyrazine Diazohydroxide is a congener of pyridine 2-diazohydroxide. Pyrazine diazohydroxide forms DNA adducts via the reactive pyrazine diazonium ion, thereby inhibiting DNA synthesis. (NCI04)
名称と識別子
- 優先名称
- Pyrazine-2-diazohydroxide
- IUPAC
- N-pyrazin-2-ylnitrous amide
名称と別名
Pyrazine diazohydroxide103829-56-7Pyrazine-2-diazohydroxideNSC 361456NSC-361456M0610GT9KVNSC361456PZDH cpdPyrazineamine, N-nitroso-, sodium saltRefChem:870447Pyrazinamine, N-nitroso-, sodium saltN-Nitrosopyrazinamine
名称をさらに表示
N-pyrazin-2-ylnitrous amide(E)-N-[(pyrazin-2-yl)imino]hydroxylamineN-(Pyrazin-2-yl)nitrous amidediazohydroxideN-Nitrosopyrazin-2-amine2-Pyrazine diazohydroxideNSC-374153Pyrazinamine, N-nitroso-
データベース識別子
- CAS
103829-56-7- PubChem CID
- 72766
- DTXSID
DTXSID50869407- ChEMBL
CHEMBL2008749- UNII
- M0610GT9KV
- Nikkaji
- J557.043C
物性
構造計算による物性
- XLogP
- 0.3
- 極性表面積
- 67.2 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 5
- 回転可能結合数
- 1
- 重原子数
- 9
- 形式電荷
- 0
- 複雑度
- 96.6
実験および物理化学的性質
Solubility
Water > 9.3 (mg/mL)
Buffer, pH 4 > 15.2 (mg/mL)
Buffer, pH 9 > 12.8 (mg/mL)
Ethanol 7.2 - 14.4 (mg/mL)
Dimethylacetamide > 17.4 (mg/mL)
DMSO > 18.7 (mg/mL)
Stability/Shelf Life
Bulk: The rate of degradation was variable, ranging from =14% at room temperature in light conditions to ~4% under dark conditions. At 50 °C under light conditions, degradation averaged ~4 %. There was no apparent degradation at 50 ° C in the dark. Solution: In reagent grade water, the t1/2 was calculated to be ~27.6 hr. In phosphate buffer at pH 7.32, tilt was found to be 91 min. In borate buffer at pH 8.98, tilt was found to be 53.8 hr.
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化合物ノート
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