AT-56
| 中文名称 | AT-56 |
|---|---|
| 中文同义词 | 4-(5H-二苯并[A,D]环庚烯-5-亚基)-1-[4-(1H-四唑-5-基)丁基]哌啶;4-(5H-二苯并[A,D]环庚烯-5-亚基)-1-[4-(1H-四唑-5-基)丁基]哌啶(AT-56);4-二苯并[A,D]环庚烯-5-基-1-[4-(1H-四氮唑-5-基)丁基]哌啶;1-(4-(2H-四唑-5-基)丁基)-4-(5H-二苯并[A,D][7]环庚烯-5-亚基)哌啶;化合物AT-56;AT-56,L-PGDS抑制剂;化合物AT-56,10 MM DMSO 溶液 |
| 英文名称 | AT-56 |
| 英文同义词 | AT56/AT-56;4-(DIBENZO[1,2-A:1',2'-E][7]ANNULEN-11-YLIDENE)-1-[4-(2H-TETRAZOL-5-YL)BUTYL]PIPERIDINE;4-(5H-Dibenzo[a,d]cyclohepten-5-ylidene)-1-[4-(1H-tetrazol-5-yl)butyl]piperidine;4-(5H-Dibenzo[a,d]cyclohepten-5-ylidene)-1-[4-(2H-tetrazol-5-yl)butyl]-piperidine;AT 56;4-Dibenzo[a,d]cyclohepten-5-ylidene-1-[4-(2H-tetrazol-5-yl)-butyl]-piperidine;AT 56, >=98%;CS-1414 |
| CAS号 | 162640-98-4 |
| 分子式 | C25H27N5 |
| 分子量 | 397.52 |
| EINECS号 | 200-256-5 |
| 相关类别 | 小分子抑制剂;小分子抑制剂，天然产物;Inhibitors |
| Mol文件 | 162640-98-4.mol |
| 结构式 |  |
AT-56 性质
| 沸点 | 620.4±65.0 °C(Predicted) |
|---|---|
| 密度 | 1.216±0.06 g/cm3(Predicted) |
| 储存条件 | Inert atmosphere,Store in freezer, under -20°C |
| 溶解度 | DMSO：可溶10mg/mL，澄清 |
| 酸度系数(pKa) | 4.99±0.10(Predicted) |
| 形态 | 粉末 |
| 颜色 | 白色至米色 |
| InChIKey | LQNGMDUIRLSESZ-UHFFFAOYSA-N |
| SMILES | N1(CCCCC2=NNN=N2)CC/C(=C2/C3=CC=CC=C3C=CC3=CC=CC=C3/2)/CC1 |
AT-56 是一种口服活性的 lipocalin-type prostaglandin (PG) D synthase (L-PGDS) 的选择性抑制剂，对应的Ki值和IC50值分别为75 μM和95 μM。
| Target | Value |
|
L-PGDS
(Cell-free assay) | 75 μM(Ki) |
|
L-PGDS
(Cell-free assay) | 95 μM |
AT-56 (1-30 μM; 10 minutes) dose-dependently inhibits the production of PGD 2 in L-PGDS-expressing human medulloblastoma TE-671 cells with an IC 50 of about 3 μM.
AT-56 ( 1-30 mg/kg; p.o.) suppresses the PGD
2
production in the stab-wounded brain.
AT-56 (1-10 mg/kg; p.o.) suppresses the L-PGDS-mediated allergic airway inflammation in mice.
AT-56 (10 mg/kg; p.o.) exhibits C
max
(2.15 μg/ml), half-life (1.71 h) and high oral bioavailability (82%).
| Animal Model: | H-PGDS KO mice (14-16weeks, 25-30 g, C57BL/6 strain) with a stab wound brain injury |
| Dosage: | 0, 1, 3, 10, 30 mg/kg |
| Administration: | P.o. 1 h before the stab wound injury |
| Result: |
Inhibited the L-PGDS reaction in the brain.
Decreased the total amount of PGD 2 in the brain to 40% with 30 mg/kg AT-56. |
| Animal Model: | Human L-PGDS-overexpressing TG mice (males, 14-16 weeks, 25-30 g) |
| Dosage: | 0, 1, 10 mg/kg |
| Administration: | P.o. 1 h before and 24 h after the antigen exposure |
| Result: | Prevented the eosinophil infiltration by inhibiting transgened human L-PGDS. |
| Animal Model: | Male C57BL/6 mice (7 weeks, 22-26 g) |
| Dosage: | 10 mg/kg for p.o. and 2 mg/kg for i.v. (Pharmacokinetic Analysis) |
| Administration: | P.o. and i.v. administration |
| Result: | Oral bioavailability (82%); C max (2.15 μg/ml); T 1/2 (1.71 h, p.o.); T 1/2 (2.35 h, i.v.). |
安全信息
| WGK Germany | 3 |
|---|
| 更新日期 | 产品编号 | 产品名称 | CAS号 | 包装 | 价格 |
|---|---|---|---|---|---|
| 2025/02/08 | HY-13988 | AT-56 | 162640-98-4 | 1 mg | 380元 |
| 2025/02/08 | HY-13988 | AT-56 AT-56 | 162640-98-4 | 5mg | 950元 |