| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| V421340-1ml |
1ml |
现货  |
|
| 别名 | 维里努拉德 (RDEA3170) |
|---|---|
| 英文别名 | CAS No.:1352792-74-5 | C72401 | SB19753 | CCG-268013 | CEC79274 | BCP17058 | Verinurad (USAN/INN) | D11129 | A906128 | HY-16733 | YYBOLPLTQDKXPM-UHFFFAOYSA-N | BS-15247 | Propanoic acid, 2-((3-(4-cyano-1-naphthalenyl)-4-pyridinyl)thio)-2-methyl- | 1352792 |
| 规格或纯度 | Moligand™, 10mM in DMSO |
| 英文名称 | Verinurad (RDEA3170) |
| 生化机理 | Verinurad（RDEA3170）是一种高亲和力的URAT1转运体抑制剂，抑制人URAT1转运活性的IC50值为25\u2009nM。它对相关URAT1同源物OAT4和OAT1的抑制亲和力比URAT1低约200倍，IC50值分别为5.9\u2009µM和4.6\u2009µM。 |
| 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 | 溶质运载家族 22 成员 12 抑制剂 |
| 产品介绍 |
Information Verinurad (RDEA3170) Verinurad (RDEA3170) is a high-affinity inhibitor of the URAT1 transporter with an IC50 of 25 nM for inhibiting transport activity of human URAT1. It inhibits the related URAT1 homologs OAT4 and OAT1 with approximately 200-fold lower affinity compared to URAT1 with IC50 values of 5.9 µM and 4.6 µM, respectively. Targets URAT1 transporter (Cell-free assay) 25 nM In vitro Verinurad inhibited the transport activity of human URAT1 in a dose-dependent manner, at high potency with an IC50 of 25 nM. Verinurad inhibited the related URAT1 homologs OAT4 and OAT1 with approximately 200-fold lower affinity compared to URAT1 with IC50 values of 5.9 μM and 4.6 μM, respectively. Human URAT1 (IC50=0.025 μM) has a 1,640-fold higher affinity for verinurad compared to rat URAT1(IC50 = 41 μM). Verinurad has a high potency for human URAT1, and residues 35, 365 and 481 all contribute to verinurad affinity. Human URAT1 carrying a chimeric point mutation at position 365, in which human Phe-365 is replaced by rat Tyr-365 (human URAT1-F365Y or h-F365Y) has an IC50 of 4.0 μM, a significant 160-fold lower affinity relative to human URAT1. Meanwhile, rat URAT1 carrying the opposite point mutation (rat URAT1-Y365F or r-Y365F), had an IC50 of 2.9 μM, a significant 14-fold higher affinity compared to rat URAT1. In vivo In human, absorption of a single dose is rapid, and exposure (Cmax and AUC) increases with dose up to the maximum dose tested. Cmax is at 0.5-0.75 hours post dose in the fasted state, and is slightly delayed to 1.25 hours post dose in the fed state. The t1/2 is approximately 10-15 hours across doses. Verinurad was well tolerated at the doses studied. In the systemic circulation, verinurad appeared to be a high clearance drug (CL/F ranged ~30-50 L/h) with extensive extravascular distribution. Renal excretion of verinurad is limited to only ~2%–3% in the urine, suggesting that the majority of verinurad is likely cleared in the liver via biotransformation to metabolites. Cell Research(from reference) Cell lines：HEK-293T cells Concentrations：0.1 nM-1 mM Incubation Time：5 min |
| ALogP | 3.804 |
|---|---|
| Rotatable Bond | 4 |
| 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 | 小分子 |
|---|---|
| IUPAC Name | 2-[3-(4-cyanonaphthalen-1-yl)pyridin-4-yl]sulfanyl-2-methylpropanoic acid |
| INCHI | InChI=1S/C20H16N2O2S/c1-20(2,19(23)24)25-18-9-10-22-12-17(18)16-8-7-13(11-21)14-5-3-4-6-15(14)16/h3-10,12H,1-2H3,(H,23,24) |
| InChi Key | YYBOLPLTQDKXPM-UHFFFAOYSA-N |
| Canonical SMILES | CC(C)(C(=O)O)SC1=C(C=NC=C1)C2=CC=C(C3=CC=CC=C32)C#N |
| Isomeric SMILES | CC(C)(C(=O)O)SC1=C(C=NC=C1)C2=CC=C(C3=CC=CC=C32)C#N |
| PubChem CID | 54767229 |
| 分子量 | 348.42 |
| DMSO(mg / mL) Max Solubility | 70 |
|---|---|
| DMSO(mM) Max Solubility | 200.907966241951 |
| Water(mg / mL) Max Solubility | ＜1 |
| 分子量 | 348.400 g/mol |
| XLogP3 | 4.100 |
| 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 | 4 |
| 精确质量Exact Mass | 348.093 Da |
| 单同位素质量Monoisotopic Mass | 348.093 Da |
| 拓扑极表面积Topological Polar Surface Area | 99.300 Ų |
| 重原子数Heavy Atom Count | 25 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 541.000 |
| 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 |
| Concentration | 9-11（mmol/L） |
|---|---|
| Proton NMR spectrum | Conforms to Structure |
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