tetramethylpyrazine

• ChemBase编号: 69945
• 分子式: C8H12N2
• 平均质量: 136.19428
• 单一同位素质量: 136.10004839
• SMILES: c1(c(nc(c(n1)C)C)C)C
• Canonical SMILES: Cc1nc(C)c(nc1C)C
• InChI: InChI=1S/C8H12N2/c1-5-6(2)10-8(4)7(3)9-5/h1-4H3
• InChIKey: FINHMKGKINIASC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tetramethylpyrazine
• IUPAC传统名: tetramethylpyrazine; pyrazine, tetramethyl-
• 别名: 2,3,5,6-四甲基吡嗪; 2,3,5,6-四甲基哌嗪; 2,3,5,6-Tetramethylpyrazine; 2,3,5,6-TETRAMETHYL PYRAZINE; Ligustrazine; Chuanxiongzine; Tetramethylpyrazine; 2,3,5,6-Tetramethylpyrazine

登记号

• CAS号: 1124-11-4
• EC号: 214-391-2
• MDL号: MFCD00006146
• Beilstein号: 113100
• PubChem SID: 24851081; 24901575; 162035670; 24901576
• PubChem CID: 14296
• FEMA编号: 3237
• 欧洲委员会编号: 734
• Flavis Number: 14.018

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.06317192
• LogD (pH = 7.4): 0.063379
• Log P: 0.063381635
• 摩尔折射率: 40.1102 cm^3
• 极化性: 15.593656 Å^3
• 极化表面积: 25.78 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 77-80 °C(lit.); 83-86°C; 84-86°C; 85-87 °C
• 沸点: 190 °C(lit.); 190°C; 190°C
• 密度: 1.08
• 感官: chocolate; musty; coffee; chocolate; musty; fatty; coffee

安全信息

• 保存注意事项: IRRITANT
• RTECS编号: UQ3905000
• 欧盟危险性物质标志: X; 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22-36/37/38; 22-37/38-41; R:22
• 安全公开号: 26-36/37; 26-39; S:36/37/39
• TSCA收录: false; 是
• GHS危险品标识: GHS05; GHS06; GHS07
• GHS警示词: Danger
• GHS危险声明: H301-H315-H319-H335; H302-H315-H318-H335
• GHS警示性声明: P261-P280-P305 + P351 + P338; P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• Regulation Compliance: EU Regulation 1334/2008 & 178/2002

药理学性质

• 过敏源: no known allergens
• 生物活性机理: Apoptosis inhibitor; Free radicals scavenger

产品相关信息

• 纯度: ≥98%; ≥98.0% (GC); 95+%; 98%; 98+%
• 级别: FG; Halal; Kosher; natural; NI; purum
• 杂质: ≤2% water; ≤2.0% water (Karl Fischer)
• 生物来源: Metab. from Bacillus subtilis; isol. from Galbanum oil. Also in Ligusticum wallichii
• 应用领域: Bactericidal agent; Fragrance and flavouring ingredient; Neuroprotective; Protect against pulmonary fibrosis; Protect against renal ischemia/reperfusion injury; Pulmonary vasodilator; Shows antiinflammatory activity
• Empirical Formula (Hill Notation): C8H12N2

详细说明

MP Biomedicals - 05212219

MP Biomedicals Rare Chemical collection

Sigma Aldrich - W323713

包装
1 kg in poly bottle
1 sample in glass bottle
25, 100 g in poly bottle

Sigma Aldrich - 183938

包装
25, 100 g in poly bottle

Sigma Aldrich - W323705

包装
1 kg in poly bottle
1 sample in glass bottle
250 g in poly bottle
5 kg in poly drum

参考文献

• 1. Feng L, Ke N, Cheng F, Guo Y, Li S, Li Q, Li Y. The Protective Mechanism of ligustrazine Against Renal Ischemia/Reperfusion Injury. J Surg Res. 2009 May 14.
• 2. Dai L, Hou J, and Cai HR. Using ligustrazine and Angelica sinensis treat the bleomycin-induced pulmonary fibrosis in rats.
• Chinese journal of tuberculosis and respiratory diseases 1996; 19(1): 26-28.
• 3. Fan LH, Wang KZ, Cheng B, Wang CS, Dang XQ. Anti-apoptotic and neuroprotective effects of Tetramethylpyrazine following spinal cord ischemia in rabbits. BMC Neurosci. 2006 Jun 14;7:48.
• Has been used as a component of a buffer to control the acid-catalyzed ring-opening of epoxides: J. Chem. Soc., Perkin 2, 1309 (1972).