4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol hydrochloride

• ChemBase编号: 102712
• 分子式: C8H12ClNO3
• 平均质量: 205.63878
• 单一同位素质量: 205.05057093
• SMILES: Cl.Cc1ncc(CO)c(CO)c1O
• Canonical SMILES: OCc1c(CO)cnc(c1O)C.Cl
• InChI: InChI=1S/C8H11NO3.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5;/h2,10-12H,3-4H2,1H3;1H
• InChIKey: ZUFQODAHGAHPFQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol hydrochloride
• IUPAC传统名: pyridoxine hydrochloride
• 别名: 吡哆醇 盐酸盐; 抗皮炎素 盐酸盐; 维生素 B6 盐酸盐; 吡哆素 盐酸盐; 吡哆素 盐酸盐; 盐酸吡哆素 (B6); 吡哆辛盐酸盐; 5-Hydroxy-6-methyl-3,4-pyridinedimethanol Hydrochloride; Aderomine Hydrochloride; Aderoxin; Hexobion; Pyridox; (5-hydroxy-6-methylpyridine-3,4-diyl)dimethanol hydrochloride; Adermine hydrochloride; PN HCl; Pyridoxol hydrochloride; Vitamin B6 hydrochloride; PYRIDOXINE HYDROCHLORIDE; Vitamin B₆; PYRIDOXINE; PYRIDOXINE HYDROCHLORIDE, USP; Pyridoxine hydrochloride; Pyridoxine hydrochloride; Pyridoxine Hydrochloride (B6)

登记号

• CAS号: 58-56-0
• EC号: 200-386-2
• MDL号: MFCD00012807
• Beilstein号: 3632435
• 默克索引号: 147982
• PubChem SID: 24871530; 24898493; 24899059; 24898966; 162090646; 24898752
• PubChem CID: 6019

理论计算性质

• Acid pKa: 9.39743
• 质子受体: 4
• 质子供体: 3
• LogD (pH = 5.5): -1.2796693
• LogD (pH = 7.4): -0.96294767
• Log P: -0.9513213
• 摩尔折射率: 44.1053 cm^3
• 极化性: 16.756275 Å^3
• 极化表面积: 73.58 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO; H2O: soluble0.1 g/mL at 20 °C, clear, colorless; Methanol
• 外观: White Solid
• 熔点: 160; 214-215 °C(lit.); 220-222°C; ca 206°C dec.
• 密度: 1.43 g/ml
• pH值: 2.0-3.5 (25 °C, 50 mg/mL in H2O)

安全信息

• 保存条件: -20°C Freezer; Room Temperature (15-30°C); Room Temperature (15-30°C), Protect from light
• 保存注意事项: Light Sensitive
• RTECS编号: UV1350000
• 德国WGK号: 2
• TSCA收录: 是
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: 2-8°C

药理学性质

• 作用靶点: Others

产品相关信息

• 纯度: ≥98% (HPLC); ≥98.0%; ≥99.0% (dried material); 98%; 99%
• 级别: analytical standard; SAJ special grade; USP
• 成盐信息: HCl; Hydrochloride
• 包装: ampule of 1000 mg
• 适用性: meets USP testing specifications; plant cell culture tested; suitable for cell culture; suitable for insect cell culture; suitable for plant cell culture
• 燃烧残渣: ≤0.1% (as SO4)
• 痕量阳离子: Ca: ≤10 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; K: ≤50 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Na: ≤50 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Zn: ≤5 mg/kg
• 痕量阴离子: sulfate (SO42-): ≤50 mg/kg
• 干燥失重: ≤0.1% loss on drying
• 产品质量级别: PREMIUM
• 特征: standard type water soluble vitamin
• Pharmacopeia Traceability: traceable to BP 458; traceable to PhEur P4100000; traceable to USP 1587001
• Empirical Formula (Hill Notation): C8H11NO3 · HCl
• 分类: Genuine Natural Compounds

详细说明

MP Biomedicals - 02194733

Cell Culture Reagent
Hydrochloride
Purity: 98%

MP Biomedicals - 02102777

Hydrochloride
Crystalline
Purity: 98%

Sigma Aldrich - P6280

General description
涉及影响细胞过程的多种生化反应。用作可在培养基中降解的吡哆醛的替代物。

Sigma Aldrich - 95180

Other Notes
Coenzymes and Cofactors, vol. 1: Vitamin B6, Pyridoxal Phosphate1,2

Toronto Research Chemicals - P991735

Pyridoxine is one of the vitamins of the B6 complex; present in many foodstuffs (yeast, liver and cereals). Pyridoxine has a role in transporting protein Bsu1, Pyridoxine contributes to thiamine uptake; characterization of thiamine (vitamin B1) transporte

参考文献

• Williams, R., et al.: J. Biol. Chem., 87, 581 (1930)
• Rodionov, D., et al.: J. Biol. Chem., 277, 48949 (1930)
• Nosaka, K., et al.: Mol. Microbiol., 58, 467 (1930)