(1R,2R,9S,17S)-7,13$l^{5}-diazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadecane-6,13-dione

• ChemBase编号: 72967
• 分子式: C15H24N2O2
• 平均质量: 264.36326
• 单一同位素质量: 264.18377802
• SMILES: C1CC[N+]2([C@H]3[C@@H]1CN1[C@@H]([C@H]3CCC2)CCCC1=O)[O-]
• Canonical SMILES: O=C1CCC[C@H]2N1C[C@@H]1CCC[N+]3([C@@H]1[C@@H]2CCC3)[O-]
• InChI: InChI=1S/C15H24N2O2/c18-14-7-1-6-13-12-5-3-9-17(19)8-2-4-11(15(12)17)10-16(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-,17?/m0/s1
• InChIKey: XVPBINOPNYFXID-LHDUFFHYSA-N

名称和登记号

名称

• IUPAC标准名: (1R,2R,9S,17S)-7,13$l^{5}-diazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadecane-6,13-dione; (1R,2R,9S,17S)-7,13λ^5-diazatetracyclo[7.7.1.0^2,^7.0^1^3,^1^7]heptadecane-6,13-dione; (1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.0^2,^7.0^1^3,^1^7]heptadecan-13-ium-13-olate
• IUPAC传统名: oxymatrine; (1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.0^2,^7.0^1^3,^1^7]heptadecan-13-ium-13-olate
• 别名: Matrine N-oxide; Matrine oxide; Matrine 1beta-oxide; Oxymatrine; Matrine N -oxide; Ammothamnine; Pachycarpidine; Oxymatrine; (4(1)S,7aS,13aR,13bR)-10-oxohexadecahydrodipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridine 4-oxide

登记号

• CAS号: 16837-52-8
• PubChem SID: 162037887
• PubChem CID: 114850

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): -0.04851039
• LogD (pH = 7.4): -0.04844866
• Log P: -0.04844787
• 摩尔折射率: 73.4934 cm^3
• 极化性: 28.323685 Å^3
• 极化表面积: 47.19 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

• 外观: Powder

安全信息

• 保存条件: -20°C

产品相关信息

• 成盐信息: Free Base
• 生物来源: Alkaloid from Sophora flavescens, Sophora macrocarpa, Ammothamnus lehmannii, Euchresta horsfeldii and other plants (Leguminosae)
• 应用领域: Antiulcer; Have effects on liver fibrosis

详细说明

Selleck Chemicals - S2338

Research Area: Immunology
Biological Activity:
Oxymatrine(Matrine N-oxide) is one of components of the root of Sophora flavescens. Sophora flavescens is a species of plant in the genus Sophora. Ku shen (the root) or kushenin (a flavonoid compound) is a typical traditional Chinese medicinethat is found in this plant. It is commonly used for the treatment of viral hepatitis, cancer, viral myocarditis, gastrointestinal hemorrhage and skin diseases (such as colpitis, psoriasis and eczema). Its roots contain quinolizidine alkaloids, includying matrine and its oxide, that interfere TNF-alpha and IL-6, suggesting that oxymatrine may inhibit the expression of the above pro-inflammatory cytokines. Matrine also inhibited expression of Substance P and NK-1R in a human model of skin inflammation, as well as acting as an agonist at mu and kappa opioid receptors. [1] 

参考文献

• http://en.wikipedia.org/wiki/Sophora_flavescens
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