化合物 T24524
| 中文名称 | 化合物 T24524 |
|---|---|
| 中文同义词 | 化合物 T24524;无损检测9513727;N,N-双(1,3-苯并二恶唑-5-甲基)-1-丁基-2,4-二苯基-1H-咪唑-5-甲胺;1-(苯并[D][1,3]二氧杂环戊烯-5-基)-N-(苯并[D][1,3]二氧杂环戊烯-5-基甲基)-N-((1-丁基-2,4-二苯基-1H-咪唑-5-基)甲基)甲胺;化合物 NDT 9513727;NDT 9513727,人类C5a受体阴性变构调节剂(NAM) |
| 英文名称 | NDT 9513727 |
| 英文同义词 | NDT 9513727;N,N-Bis(1,3-benzodioxol-5-ylmethyl)-1-butyl-2,4-diphenyl-1H-Imidazole-5-methanamine;1H-Imidazole-5-methanamine, N,N-bis(1,3-benzodioxol-5-ylmethyl)-1-butyl-2,4-diphenyl-;Bis[(2H-1,3-benzodioxol-5-yl)methyl][(1-butyl-2,4-diphenyl-1H-imidazol-5-yl)methyl]amine;NDT13727 |
| CAS号 | 439571-48-9 |
| 分子式 | C36H35N3O4 |
| 分子量 | 573.68 |
| EINECS号 | |
| 相关类别 | 小分子;Agonist, Aromatics, Heterocycles, Pharmaceuticals, Intermediates & Fine Chemicals |
| Mol文件 | 439571-48-9.mol |
| 结构式 |  |
化合物 T24524 性质
| 沸点 | 723.1±62.0 °C(Predicted) |
|---|---|
| 密度 | 1.23±0.1 g/cm3(Predicted) |
| 储存条件 | Store at -20°C |
| 溶解度 | 二甲基亚砜：100mM；乙醇：100 mM |
| 酸度系数(pKa) | 6.69±0.50(Predicted) |
| 形态 | 固体 |
| 颜色 | 白色至黄色 |
| InChIKey | ITACCRHKSPSKKL-UHFFFAOYSA-N |
| SMILES | CCCCN1C(CN(CC2=CC=C3OCOC3=C2)CC4=CC5=C(C=C4)OCO5)=C(N=C1C6=CC=CC=C6)C7=CC=CC=C7 |
IC50: 11.6 nM (human C5aR)
NDT 9513727 inhibits C5a-stimulated responses, including guanosine 5'-3-O-(thio)triphosphate binding, Ca
2+
mobilization, oxidative burst, degranulation, cell surface CD11b expression and chemotaxis in various cell types with IC
50
s from 1.1 to 9.2 nM, respectively.
NDT 9513727 (3-30 mg/kg; p.o.) exhibits a dose-dependent inhibition of hC5a-induced neutropenia.
NDT 9513727 exhibits moderate oral bioavailability (rat 73%, monkey 26%) and C
max
(rat 5.98 μM, monkey 830 nM) following oral administration (rat 50, monkey 25.2 mg/kg).
NDT 9513727 exhibits moderate plasma elimination half-lives (rat 4.8, monkey 7.9 h) due to low plasma clearance (1.4 L/h/kg and 3.8 l/h/kg respectively) following oral administration (rat 50, monkey 25.2 mg/kg).
| Animal Model: | Six-week-old Mongolian gerbils |
| Dosage: | 1 mg/kg, 3 mg/kg, 10 mg/kg, 30 mg/kg |
| Administration: | Oral administration |
| Result: | Significantly inhibited hC5a-induced neutropenia at 3 mg/kg, 10 mg/kg, 30 mg/kg. |
| Animal Model: | Rat |
| Dosage: | 50 mg/kg |
| Administration: | Oral administration |
| Result: | Oral bioavailability (73%), C max (5.98 μM), T 1/2 (4.8 h). |
| Animal Model: | Monkey |
| Dosage: | 25.2 mg/kg |
| Administration: | Oral administration |
| Result: | Oral bioavailability (26%), C max (830 nM), T 1/2 (7.9 h). |
安全信息
| WGK Germany | WGK 3 |
|---|---|
| 存储类别 | 11 - 可燃固体 |
| 更新日期 | 产品编号 | 产品名称 | CAS号 | 包装 | 价格 |
|---|---|---|---|---|---|
| 2025/12/22 | HY-110060 | 化合物 T24524 NDT 9513727 | 439571-48-9 | 5 mg | 800元 |
| 2025/12/22 | HY-110060 | 化合物 T24524 NDT 9513727 | 439571-48-9 | 10 mM * 1 mLin DMSO | 1010元 |