3-(hydroxyimino)butan-2-one

• ChemBase编号: 102404
• 分子式: C4H7NO2
• 平均质量: 101.10388
• 单一同位素质量: 101.04767847
• SMILES: CC(=O)/C(=N/O)/C
• Canonical SMILES: C/C(=N\O)/C(=O)C
• InChI: InChI=1S/C4H7NO2/c1-3(5-7)4(2)6/h7H,1-2H3
• InChIKey: FSEUPUDHEBLWJY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(hydroxyimino)butan-2-one; (3E)-3-(hydroxyimino)butan-2-one
• IUPAC传统名: 2,3-butanedione monoxime; diacetylmonoxime
• 别名: 二乙酰一肟; 联乙酰一肟; 2,3-丁二酮一肟; 2,3-Butanedione monoxime; BDM; Biacetyl monoxime; DIACETYL MONOXIME; 2,3-Butanedione monoxime; DIACETYLMONOXIME; Diacetyl monoxime

登记号

• CAS号: 57-71-6
• EC号: 200-348-5
• MDL号: MFCD00002116
• Beilstein号: 605582
• PubChem SID: 162088185; 24858995; 24277826
• PubChem CID: 6409633

理论计算性质

• Acid pKa: 6.504975
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 0.364179
• LogD (pH = 7.4): -0.52803445
• Log P: 0.40497926
• 摩尔折射率: 25.3625 cm^3
• 极化性: 9.643563 Å^3
• 极化表面积: 49.66 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 75-76 °C; 75-78 °C(lit.); 75-78°C
• 沸点: 185-186 °C(lit.); 185-186°C

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: EK3150000
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

药理学性质

• 相关基因信息: human ... KCNB1(3745)

产品相关信息

• 纯度: ≥98%; ≥99.0%; ≥99.0% (N); 97%
• 燃烧残渣: ≤0.05% (as SO4)
• 品质说明: for spectrophotometric det. of urea
• 线性分子式: CH3C(=NOH)COCH3

详细说明

MP Biomedicals - 05209991

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02101530

Crystalline
For the determination of urea; protector in cholinesterase inhibition.

Sigma Aldrich - B0753

包装
1 kg in poly bottle
25, 100, 500 g in poly bottle
Biochem/physiol Actions
DRK1 is a delayed rectifier (Kv2.1) cloned K+ channel from rat brain with consensus sites for protein kinase-dependent phosphorylation that might be expected to be functionally regulated by phosphorylation. 2,3-Butanedione monoxime (BDM) chemically removes phosphate groups from many proteins, and its action on DRK1 channels was examined after expression of DRK1 cRNA in Xenopus oocytes. In two-microelectrode voltage-clamp experiments, the application of 2,3-Butanedione monoxime to the bath inhibited DRK1 current (ki = 16.6 mM, H = 0.96) rapidly and reversibly, with a time course similar to the time course of solution change within the bath. DRK1 current was inhibited at all potentials; the time course of current activation, deactivation and inactivation were unaffected by 2,3-Butanedione monoxime. In inside-out patch-clamp experiments, the application of 2,3-Butanedione monoxime to the cytoplasmic surface similarly inhibited channel activity rapidly and reversibly (ki = 10.7 mM, H = 1.01) in the absence of rephosphorylating substrates. These results are inconsistent with a phosphatase effect, because such an effect should be irreversible in cell-free, ATP-free patches. Instead, the results suggest that 2,3-Butanedione monoxime can inhibit DRK1 channels directly from inside or outside of the membrane.

Sigma Aldrich - 112135

包装
500 g in poly bottle

Sigma Aldrich - 31550

Analysis Note
溶解度：0.5g 本品加入到 10mL 水或者 10mL 乙醇中，可以形成澄清溶液。灵敏性测试：将溶于 3mL 水和 5mL 浓盐酸的 0.05mg 尿素与 3% 的二乙酰单肟水溶液在水浴上加热 10 分钟，颜色呈淡黄色。
Other Notes
用于比色法测定脲和脲基化合物的试剂1；用于光谱法测定 Co(II)、Ni(II)、Pd(II) 和 Re(VII) 的试剂2；用于重量分析法测定 Ni(II) 的试剂3