2-(5,6-Dimethyl-9-Oxo-9H-Xanthen-4-Yl)Acetic Acid 5,6-二甲基-9-氧-9-氢-氧杂蒽-4-乙酸
CAS 117570-53-3 MFCD00870555
化学结构图
SMILES: Cc1ccc2c(=O)c3cccc(CC(=O)O)c3oc2c1C
化学属性
| Mol. Formula | C17H14O4 |
|---|---|
| Mol. Weight | 282 |
| Appearance | Light brown to brown solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| Chemical Name | 2-(5,6-Dimethyl-9-Oxo-9H-Xanthen-4-Yl)Acetic Acid |
|---|---|
| Synonym | 5,6-Dimethylxanthenone-4-acetic Acid ASA404 Vadimezan ASA404; ASA 404; ASA404; AS1404; AS 1404; AS1404; DMXAA; Vadimezan DMXAA |
| MDL Number | MFCD00870555 |
| PubChem Substance ID | 24724464 |
| Chemical Name Translation | 5,6-二甲基-9-氧-9-氢-氧杂蒽-4-乙酸 |
| Reaxys-RN | 4262852 |
| Formula | C17H14O4 |
| IUPAC Name | (5,6-Dimethyl-9-oxo-9H-xanthen-4-yl)-acetic acid |
| InChIKey | XGOYIMQSIKSOBS-UHFFFAOYSA-N |
| InChI | InChI=1S/C17H14O4/c1-9-6-7-13-15(20)12-5-3-4-11(8-14(18)19)17(12)21-16(13)10(9)2/h3-7H,8H2,1-2H3,(H,18,19) |
| Canonical SMILES | O=C(O)CC1=CC=CC(C2=O)=C1OC3=C2C=CC(C)=C3C |
| CAS Number | 117570-53-3 |
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分类
- {SNA} Apoptosis Inducers, Apoptosis and Cell Cycle, Bioactive Small Molecules, Cell Biology, Cell Signaling and Neuroscience, DIG-DY
- {SNA} Apoptosis Inducers, Apoptosis and Cell Cycle, Bioactive Small Molecule Alphabetical Index, DIG-DY, 生物活性小分子, 细胞信号转导和神经科学, 细胞生物学
产品应用
- Vadimezan, also known as DMXAA and ASA404, is a fused tricyclic analogue of flavone acetic acid with potential antineoplastic activity. Vadimezan induces the cytokines tumor necrosis alpha (TNF-alpha), serotonin and nitric oxide, resulting in hemorrhagic necrosis and a decrease in angiogenesis. This agent also stimulates the anti-tumor activity of tumor-associated macrophages.
安全信息
GHS Symbol
- P301+P312+P330
- P273 Avoid release to the environment. 避免释放到环境中。
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- H302 Harmful if swallowed 吞食有害
- H400 Verytoxictoaquaticlife 对水生生物毒性非常大。
- S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
- S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；
- R22 Harmful if swallowed 吞咽有害
- R50/53
