| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| B414216-2mg |
2mg |
期货  |
| |
| B414216-5mg |
5mg |
期货 |
|
| 英文别名 | 1H-Pyrrolo[3,2-c]quinoline-4-methanol,8-(2-fluorophenyl)-2,3,3a,4,5,9b-hexahydro-1-[(4-methylphenyl)sulfonyl]-,(3aR,4R,9bR)- |
|---|---|
| 规格或纯度 | ≥98% |
| 英文名称 | BRD0539 |
| 生化机理 | BRD0539 是化脓性链球菌 Cas9（SpCas9）的强效抑制剂，在体外 DNA 裂解试验中的 IC50 值为 22 μM。 |
| 储存温度 | -20°C储存 |
| 运输条件 | 超低温冰袋运输 |
| 产品介绍 |
Information BRD0539 BRD0539 is a potent inhibitor of Streptococcus pyogenes Cas9 (SpCas9) with IC50 of 22 μM in an in vitro DNA cleavage assay. Targets SpCas9 (Cell-free assay) 22 μM In vitro BRD0539 is stable in human plasma and reversibly inhibits SpCas9. BRD0539 does not interfere with the SpCas9:gRNA interaction. BRD0539 dose-dependently blocks the formation of the DNA-bound state in a dose-dependent fashion. BRD0539 impairs the perturbation induced by the 4PAM DNA. BRD0539 is able to inhibit SpCas9 in the eGFP-disruption assay. Cell Research(from reference) Cell lines：U2OS.eGFP.PEST cells Concentrations：15 μM Incubation Time：2–24 h |
| 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 |
|---|---|
| IUPAC Name | [(3aR,4R,9bR)-8-(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol |
| INCHI | InChI=1S/C25H25FN2O3S/c1-16-6-9-18(10-7-16)32(30,31)28-13-12-20-24(15-29)27-23-11-8-17(14-21(23)25(20)28)19-4-2-3-5-22(19)26/h2-11,14,20,24-25,27,29H,12-13,15H2,1H3/t20-,24+,25-/m1/s1 |
| InChi Key | CZOIXFMISSBIJL-DCEDVJGZSA-N |
| Canonical SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCC3C2C4=C(C=CC(=C4)C5=CC=CC=C5F)NC3CO |
| Isomeric SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@H]3[C@@H]2C4=C(C=CC(=C4)C5=CC=CC=C5F)N[C@H]3CO |
| PubChem CID | 54666326 |
| 分子量 | 452.54 |
| 溶解性 | Solubility (25°C) In vitro DMSO: 91 mg/mL (201.08 mM); Ethanol: 31 mg/mL (68.5 mM); Water: Insoluble; |
|---|---|
| 分子量 | 452.500 g/mol |
| XLogP3 | 4.200 |
| 氢键供体数Hydrogen Bond Donor Count | 2 |
| 氢键受体数Hydrogen Bond Acceptor Count | 6 |
| 可旋转键计数Rotatable Bond Count | 4 |
| 精确质量Exact Mass | 452.157 Da |
| 单同位素质量Monoisotopic Mass | 452.157 Da |
| 拓扑极表面积Topological Polar Surface Area | 78.000 Ų |
| 重原子数Heavy Atom Count | 32 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 751.000 |
| 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 | 3 |
| 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 |
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