| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| B427162-1ml |
1ml |
现货  |
|
| 别名 | 布喹那,6-氟-2-(2'-氟-[1,1'-联苯]-4-基)-3-甲基喹啉-4-羧酸 |
|---|---|
| 英文别名 | BCP06006 | brequinarum | EX-A1515 | 2-(2'-Fluoro-1,1'-biphenyl-4-yl)-6-fluoro-3-methyl-4-quinolinecarboxylic acid | 4-Quinolinecarboxylic acid, 6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-3-methyl- | DTXSID00242165 | DUP785; Biphenquinate; BPQ | NCGC004807 |
| 规格或纯度 | Moligand™, 10mM in DMSO |
| 英文名称 | Brequinar |
| 储存温度 | -80℃储存 |
| 运输条件 | 超低温冰袋运输 |
| 作用类型 | 抑制剂 |
| 作用机制 | 二氢烟酸脱氢酶抑制剂 |
| 产品介绍 |
Product Describtion: Brequinar (DUP785, NSC 368390) is an inhibitor of dihydroorotate dehydrogenase (DHODH) with an IC50 of ∼20 nM in vitro. |
| ALogP | 5.6 |
|---|
| 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 | 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylic acid |
| INCHI | 1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28) |
| InChi Key | PHEZJEYUWHETKO-UHFFFAOYSA-N |
| Smiles | CC1=C(C2=C(C=CC(=C2)F)N=C1C3=CC=C(C=C3)C4=CC=CC=C4F)C(=O)O |
| Isomeric SMILES | CC1=C(C2=C(C=CC(=C2)F)N=C1C3=CC=C(C=C3)C4=CC=CC=C4F)C(=O)O |
| 分子量 | 375.37 |
| Reaxy-Rn | 8354757 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8354757&ln= |
| 敏感性 | 对热敏感 |
|---|---|
| 熔点 | 317 °C |
| 分子量 | 375.400 g/mol |
| XLogP3 | 5.600 |
| 氢键供体数Hydrogen Bond Donor Count | 1 |
| 氢键受体数Hydrogen Bond Acceptor Count | 5 |
| 可旋转键计数Rotatable Bond Count | 3 |
| 精确质量Exact Mass | 375.107 Da |
| 单同位素质量Monoisotopic Mass | 375.107 Da |
| 拓扑极表面积Topological Polar Surface Area | 50.200 Ų |
| 重原子数Heavy Atom Count | 28 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 551.000 |
| 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 | 0 |
| 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 | 0 |
| 共价键合单元计数Covalently-Bonded Unit Count | 1 |
| 1. Panpan Xue, Huilan Zhuang, Sijie Shao, Tingjie Bai, Xuemei Zeng, Shuangqian Yan. (2024) Engineering Biodegradable Hollow Silica/Iron Composite Nanozymes for Breast Tumor Treatment through Activation of the “Ferroptosis Storm”. ACS Nano, 18 (37): (25795-25812). [PMID:39226614] [10.1021/acsnano.4c08574] |
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