3-((Dimethylamino)Methyl)-N-(2-(4-(Hydroxycarbamoyl)Phenoxy)Ethyl)Benzofuran-2-Carboxamide 3-[(二甲基氨基)甲基]-N-[2-[4-[(羟基氨基)羰基]苯氧基]乙基]-2-苯并呋喃酰胺
CAS 783355-60-2 MFCD83355602
化学结构图
SMILES: CN(C)Cc1c(C(=O)NCCOc2ccc(C(=O)NO)cc2)oc2ccccc12
化学属性
| Mol. Weight | 397.42 |
|---|---|
| Mol. Formula | C21H23N3O5 |
| Appearance | white to off-white solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| CAS Number | 783355-60-2 |
|---|---|
| Chemical Name | 3-((Dimethylamino)Methyl)-N-(2-(4-(Hydroxycarbamoyl)Phenoxy)Ethyl)Benzofuran-2-Carboxamide |
| Synonym | 3-[(Dimethylamino)methyl]-N-[2-[4-[(hydroxyamino)carbonyl]phenoxy]ethyl]-2-benzofurancarboxamide CRA 024781 CRA 24781 CRA-024781 CRA-024781; CRA 024781; CRA024781; PCI24781; PCI-24781; PCI 24781; Abexinostat. CRA024781 PCI 24781 PCI-24781 PCI24781 abexinostat |
| Chemical Name Translation | 3-[(二甲基氨基)甲基]-N-[2-[4-[(羟基氨基)羰基]苯氧基]乙基]-2-苯并呋喃酰胺 |
| PubChem Substance ID | 11749858 |
| InChI | InChI=1S/C21H23N3O5/c1-24(2)13-17-16-5-3-4-6-18(16)29-19(17)21(26)22-11-12-28-15-9-7-14(8-10-15)20(25)23-27/h3-10,27H,11-13H2,1-2H3,(H,22,26)(H,23,25) |
| LabNetwork Molecule ID | LN01304296 |
| Formula | C21H23N3O5 |
| IUPAC Name | 3-(dimethylaminomethyl)-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-1-benzofuran-2-carboxamide |
| InChIKey | MAUCONCHVWBMHK-UHFFFAOYSA-N |
| Canonical SMILES | O=C(C(O1)=C(CN(C)C)C2=C1C=CC=C2)NCCOC3=CC=C(C(NO)=O)C=C3 |
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分类
- Amines
- Aromatics
- Inhibitors
- Pharmaceuticals
- Intermediates & Fine Chemicals
产品应用
- Abexinostat, also known as PCI-24781 or CRA-024781, is novel, broad-spectrum hydroxamic acid-based inhibitor of histone deacetylase (HDAC) with potential antineoplastic activity. Abexinostat inhibits several isoforms of HDAC, resulting in an accumulation of highly acetylated histones, followed by the induction of chromatin remodeling; the selective transcription of tumor suppressor genes; and the tumor suppressor protein-mediated inhibition of tumor cell division and induction of tumor cell apoptosis.
相关文献及参考
- Morales, V., et al.: Mol. Cell Biol., 20, 7230 (2000),
- Th'ng, J., et al.: J. Biol. Chem., 280, 27809 (2005),
- Esteller, M., et al.: Carcinogenesis, 27, 1121 (2006),
安全信息
- H302 Harmful if swallowed 吞食有害
- H361 Suspected of damaging fertility or the unborn child 怀疑对生育能力或未出生婴儿造成伤害
- H373 May causes damage to organs through prolonged or repeated exposure 长期或频繁接触可能会损伤器官
- P201 Obtain special instructions before use. 使用前获取专门指示。
- P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
- P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- 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。
- P281 Use personal protective equipment as required. 使用所需的个人防护装备。
- P301+P312
- P308+P313
- P314 Get medical advice/attention if you feel unwell. 获取医疗咨询/就医，如果你觉得不舒服
- P330 Rinse mouth. 漱口
- P405 Store locked up. 上锁保管。
- P501 Dispose of contents/container to..… 处理内容物/容器.....
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