N-{[4-methoxy-6-(pyridin-2-yl)pyridin-2-yl]methylidene}hydroxylamine

• ChemBase编号: 154840
• 分子式: C12H11N3O2
• 平均质量: 229.23464
• 单一同位素质量: 229.08512661
• SMILES: COc1cc(nc(c1)c1ccccn1)/C=N/O
• Canonical SMILES: O/N=C/c1cc(OC)cc(n1)c1ccccn1
• InChI: InChI=1S/C12H11N3O2/c1-17-10-6-9(8-14-16)15-12(7-10)11-4-2-3-5-13-11/h2-8,16H,1H3
• InChIKey: JCTRJRHLGOKMCF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{[4-methoxy-6-(pyridin-2-yl)pyridin-2-yl]methylidene}hydroxylamine
• IUPAC传统名: N-{[4-methoxy-6-(pyridin-2-yl)pyridin-2-yl]methylidene}hydroxylamine
• 别名: Carulomycin A; Cerulomycin; Caerulomycin A

登记号

• CAS号: 21802-37-9
• MDL号: MFCD03093715
• PubChem SID: 162248978
• PubChem CID: 5381230

理论计算性质

• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 2.1927354
• LogD (pH = 7.4): 2.1676252
• Log P: 2.1956809
• 摩尔折射率: 62.6201 cm^3
• 极化性: 25.25644 Å^3
• 极化表面积: 67.6 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true
• Acid pKa: 8.59609

分子性质

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26
• GHS危险品标识: GHS06
• GHS警示词: Danger
• GHS危险声明: H301-H315-H319
• GHS警示性声明: P301 + P310-P305 + P351 + P338
• 保存温度: -20°C

产品相关信息

• 纯度: ≥98% (HPLC)
• 生物来源: from Streptomyces caeruleus
• Empirical Formula (Hill Notation): C12H11N3O2

详细说明

Sigma Aldrich - C6374

Biochem/physiol Actions
Caerulomycins produced by Streptomyces caeruleus are bipyridinic molecules endowed with antibiotic properties. Caerulomycin A was found to have a strong anti-fungal and anti-amoebic activity, and a mild antibacterial activity.
Preparation Note
Caerulomycin A stock solution may be prepared in DMSO or methanol at 1 mg/mL. The stock solution can be further diluted in water to 0.1 mg/mL. Higher concentrations my requrie gentle heating to 40 °C. Dilutions from the stock solution should be freshly prepared.