| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| T425990-1ml |
1ml |
现货  |
|
| 英文别名 | 5-((1E)-2-PHENYLETHEN-1-YL)-2-(PROPAN-2-YL)BENZENE-1,3-DIOL | Tapinarof (USAN) | 5-[(1E)-2-Phenylethen-1-yl]-2-(propan-2-yl)benzene-1,3-diol | GTPL9686 | AKOS025296109 | s9700 | TAPINAROF [INN] | BCP13569 | Sinefunginum [INN-Latin] | 2-Isopropyl-5-styrylb |
|---|---|
| 规格或纯度 | Moligand™, 10mM in DMSO |
| 英文名称 | Tapinarof |
| 生化机理 | Tapinarof（GSK2894512，Benvitimod，WBI 1001，DHPS，DMVT 505）是芳基烃受体（AhR）的天然激动剂，能诱导永生化角质细胞（HaCaT）中 AhR 的核转位，其 EC50 为 0.16 nM。Tapinarof 能以剂量依赖性方式诱导 CD4+ T 细胞凋亡，IC50 为 5.2 μM。 |
| 储存温度 | -80℃储存 |
| 运输条件 | 超低温冰袋运输 |
| 作用类型 | 激动剂 |
| 作用机制 | 芳香烃受体激动剂 |
| 产品介绍 |
Information Tapinarof Tapinarof (GSK2894512, Benvitimod, WBI 1001, DHPS, DMVT 505) is a natural agonist of aryl hydrocarbon receptor (AhR) and induces nuclear translocation of AhR in immortalized keratinocytes (HaCaT) with EC50 of 0.16 nM. Tapinarof induces cellular apoptosis in CD4+ T cells in a dosedependent manner with IC50 of 5.2 μM. Targets AhR (in immortalized keratinocytes); apoptosis (in CD4+ T cells) 0.16 nM(EC50); 5.2 μM In vitro Tapinarof binds and activates AhR in multiple cell types, including cells of the target tissue –human skin. In addition, tapinarof moderates proinflammatory cytokine expression in stimulated peripheral blood CD4+ T cells and ex vivo human skin, and impacts barrier gene expression in primary human keratinocytes; both of these processes are likely to be downstream of AhR activation based on current evidence. In vivo The anti-inflammatory properties of tapinarof derive from AhR agonism is conclusively demonstrated using the mouse model of imiquimod-induced psoriasiform skin lesions. Topical treatment of AhR-sufficient mice with tapinarof leads to compound-driven reductions in erythema, epidermal thickening and tissue cytokine levels. In contrast, tapinarof has no impact on imiquimod-induced skin inflammation in AhR-deficient mice. Cell Research(from reference) Cell lines：HaCaT cells Concentrations：0.01 pM - 1 μM Incubation Time：30 min |
| ALogP | 4.526 |
|---|---|
| HBD Count | 2 |
| Rotatable Bond | 3 |
| 作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
|---|
| 分子类型 | 小分子 |
|---|---|
| IIUPAC Name | 5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol |
| INCHI | 1S/C17H18O2/c1-12(2)17-15(18)10-14(11-16(17)19)9-8-13-6-4-3-5-7-13/h3-12,18-19H,1-2H3/b9-8+ |
| InChi Key | ZISJNXNHJRQYJO-CMDGGOBGSA-N |
| Smiles | CC(C)C1=C(C=C(C=C1O)C=CC2=CC=CC=C2)O |
| Isomeric SMILES | CC(C)C1=C(C=C(C=C1O)/C=C/C2=CC=CC=C2)O |
| 分子量 | 254.32 |
| DMSO(mg / mL) Max Solubility | 51 |
|---|---|
| DMSO(mM) Max Solubility | 200.534759358289 |
| Water(mg / mL) Max Solubility | ＜1 |
| 熔点 | 148 °C |
| 分子量 | 254.320 g/mol |
| XLogP3 | 4.600 |
| 氢键供体数Hydrogen Bond Donor Count | 2 |
| 氢键受体数Hydrogen Bond Acceptor Count | 2 |
| 可旋转键计数Rotatable Bond Count | 3 |
| 精确质量Exact Mass | 254.131 Da |
| 单同位素质量Monoisotopic Mass | 254.131 Da |
| 拓扑极表面积Topological Polar Surface Area | 40.500 Ų |
| 重原子数Heavy Atom Count | 19 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 280.000 |
| 同位素原子数Isotope Atom Count | 0 |
| 定义的原子立体中心计数Defined Atom Stereocenter Count | 0 |
| 未定义的原子立体中心计数Undefined Atom Stereocenter Count | 0 |
| 定义的键立体中心计数Defined Bond Stereocenter Count | 1 |
| 未定义的键立体中心计数Undefined Bond Stereocenter Count | 0 |
| 所有立体化学键的总数The total count of all stereochemical bonds | 1 |
| 共价键合单元计数Covalently-Bonded Unit Count | 1 |
| 象形图 | GHS09 |
|---|---|
| 信号词 | 警告 |
| 危险声明 |
H400: 对水生生物有剧毒 H410: 对水生生物有剧毒并具有长期持续影响 |
| 预防措施声明 |
P273: 避免释放到环境中。 P391: 收集溢出物 P501: 将内容物/容器处理到。。。 |
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