icosa-5,8,11,14-tetraynoic acid

• ChemBase编号: 103365
• 分子式: C20H24O2
• 平均质量: 296.40336
• 单一同位素质量: 296.17763001
• SMILES: CCCCCC#CCC#CCC#CCC#CCCCC(=O)O
• Canonical SMILES: CCCCCC#CCC#CCC#CCC#CCCCC(=O)O
• InChI: InChI=1S/C20H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14,17-19H2,1H3,(H,21,22)
• InChIKey: MGLDCXPLYOWQRP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: icosa-5,8,11,14-tetraynoic acid
• IUPAC传统名: icosa-5,8,11,14-tetraynoic acid
• 别名: 5,8,11,14-Eicosatetraynoic acid; ETYA; Octadehydroarachidonic acid; 5,8,11,14-EICOSATETRAYNOIC ACID

登记号

• CAS号: 1191-85-1
• MDL号: MFCD00036967
• Beilstein号: 1798411
• PubChem SID: 24894432; 162090937
• PubChem CID: 1780

理论计算性质

• Acid pKa: 4.0834813
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 4.9441676
• LogD (pH = 7.4): 3.2644348
• Log P: 6.373684
• 摩尔折射率: 92.9332 cm^3
• 极化性: 33.68693 Å^3
• 极化表面积: 37.3 Å^2
• 可自由旋转的化学键: 14
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 79-81 °C

安全信息

• 保存条件: -20°C
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

药理学性质

• 相关基因信息: human ... ALOX15(246)

产品相关信息

• 纯度: ≥97%; ≥97.0% (HPLC); 98%
• Empirical Formula (Hill Notation): C20H24O2

详细说明

MP Biomedicals - 02151508

Supplied as a white solid
Purity: 98%
Archidonic acid, cyclooxygenase, lipoxygenase, and cytochrome P450 inhibitor.

Sigma Aldrich - E1768

Biochem/physiol Actions
Cyclooxygenase and lipoxygenase inhibitor.

Sigma Aldrich - 44870

Biochem/physiol Actions
Cyclooxygenase and lipoxygenase inhibitor.
Other Notes
Acetylenic analogue of arachidonic acid. Inhibits lipoxygenases and protaglandin synthetase1; cyclooxygenase2; and lipoxygenase3,4

参考文献

• Salari, H., et al., Prostagland. Leukotrienes Med., 13: 53 (1984).