| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| B422666-1ml |
1ml |
现货  |
|
| 英文别名 | BAY-2402234 | 2225819-06-5 | Orludodstat | Orludodstat(inn) | (S)-N-(2-Chloro-6-fluorophenyl)-4-(4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-5-fluoro-2-((1,1,1-trifluoropropan-2-yl)oxy)benzamide | N-(2-chloro-6-fluorophenyl)-4-[4-ethyl-3-(hyd |
|---|---|
| 规格或纯度 | Moligand™, 10mM in DMSO |
| 英文名称 | BAY 2402234 |
| 生化机理 | BAY 2402234 是一种新型的选择性二氢烟酸脱氢酶（DHODH）抑制剂，其 IC50 为 1.2\u2009nM。 |
| 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（醌）抑制剂 |
| 产品介绍 |
Information BAY 2402234 BAY 2402234 is a novel and selective dihydroorotate dehydrogenase (DHODH) inhibitor with an IC50 of 1.2 nM. Targets DHODH (Cell-free assay) 1.2 nM In vitro BAY 2402234 induces differentiation and inhibits proliferation in AML cell lines across multiple AML subtypes. In vivo BAY 2402234 shows strong monotherapy efficacy and induces differentiation in AML xenograft models in vivo. Cell Research(from reference) Cell lines：MOLM-13, HEL, MV4-11, SKM-1 and THP-1 cell lines Concentrations：0.1nM to 1μM Incubation Time：96 h |
| ALogP | 4.103 |
|---|---|
| HBD Count | 2 |
| Rotatable Bond | 8 |
| 活性类型 | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| 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 | 未知 |
|---|---|
| IUPAC Name | N-(2-chloro-6-fluorophenyl)-4-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide |
| INCHI | InChI=1S/C21H18ClF5N4O4/c1-3-30-17(9-32)29-31(20(30)34)15-8-16(35-10(2)21(25,26)27)11(7-14(15)24)19(33)28-18-12(22)5-4-6-13(18)23/h4-8,10,32H,3,9H2,1-2H3,(H,28,33)/t10-/m0/s1 |
| InChi Key | KNVJMHHAXCPZHF-JTQLQIEISA-N |
| Canonical SMILES | CCN1C(=NN(C1=O)C2=C(C=C(C(=C2)OC(C)C(F)(F)F)C(=O)NC3=C(C=CC=C3Cl)F)F)CO |
| Isomeric SMILES | CCN1C(=NN(C1=O)C2=C(C=C(C(=C2)O[C@@H](C)C(F)(F)F)C(=O)NC3=C(C=CC=C3Cl)F)F)CO |
| PubChem CID | 134470179 |
| 分子量 | 520.84 |
| DMSO(mg / mL) Max Solubility | 100 |
|---|---|
| DMSO(mM) Max Solubility | 191.997542431457 |
| Water(mg / mL) Max Solubility | ＜1 |
| 分子量 | 520.799 g/mol |
| XLogP3 | 4.000 |
| 氢键供体数Hydrogen Bond Donor Count | 2 |
| 氢键受体数Hydrogen Bond Acceptor Count | 10 |
| 可旋转键计数Rotatable Bond Count | 7 |
| 精确质量Exact Mass | 520.094 Da |
| 单同位素质量Monoisotopic Mass | 520.094 Da |
| 拓扑极表面积Topological Polar Surface Area | 94.500 Ų |
| 重原子数Heavy Atom Count | 35 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 819.000 |
| 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 | 1 |
| 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 |
| Concentration(Compounding value) | 9.0-11.0(mmol/L) |
|---|---|
| Appearance(Colorless Transparent Liquid) | Pass |
| Record the entire process by video | Conform |
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