162640-98-4
中文名稱
AT-56
英文名稱
4-(5H-Dibenzo[a,d]cyclohepten-5-ylidene)-1-[4-(2H-tetrazol-5-yl)butyl]-piperidine
CAS
162640-98-4
分子式
C25H27N5
分子量
397.52
MOL 文件
162640-98-4.mol
更新日期
2025/01/22 09:20:39
162640-98-4 結(jié)構(gòu)式
基本信息
中文別名
4-二苯并[A,D]環(huán)庚烯-5-基-1-[4-(1H-四氮唑-5-基)丁基]哌啶4-(5H-二苯并[A,D]環(huán)庚烯-5-亞基)-1-[4-(1H-四唑-5-基)丁基]哌啶
4-(5H-二苯并[A,D]環(huán)庚烯-5-亞基)-1-[4-(1H-四唑-5-基)丁基]哌啶(AT-56)
英文別名
AT 56CS-1414
AT56/AT-56
AT 56, >=98%
4-Dibenzo[a,d]cyclohepten-5-ylidene-1-[4-(2H-tetrazol-5-yl)-butyl]-piperidine
4-Dibenzo[a,d] cyclohepten-5-ylidene-1-[4-(1H-tetrazol-5-yl) butyl] piperdine
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
Piperidine, 4-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-[4-(2H-tetrazol-5-yl)butyl]-
4-(DIBENZO[1,2-A:1',2'-E][7]ANNULEN-11-YLIDENE)-1-[4-(2H-TETRAZOL-5-YL)BUTYL]PIPERIDINE
所屬類別
生物化工：激動劑抑制劑物理化學性質(zhì)
沸點620.4±65.0 °C(Predicted)
密度1.216±0.06 g/cm3(Predicted)
儲存條件Inert atmosphere,Store in freezer, under -20°C
溶解度DMSO：可溶10mg/mL，澄清
酸度系數(shù)(pKa)4.99±0.10(Predicted)
形態(tài)粉末
顏色白色至米色
InChIKeyLQNGMDUIRLSESZ-UHFFFAOYSA-N
SMILESN1(CCCCC2=NNN=N2)CC/C(=C2/C3=CC=CC=C3C=CC3=CC=CC=C3/2)/CC1
常見問題列表
生物活性
AT-56 是一種口服活性的 lipocalin-type prostaglandin (PG) D synthase (L-PGDS) 的選擇性抑制劑，對應的Ki值和IC50值分別為75 μM和95 μM。靶點
| Target | Value |
|
L-PGDS
(Cell-free assay) | 75 μM(Ki) |
|
L-PGDS
(Cell-free assay) | 95 μM |
體外研究
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.
體內(nèi)研究
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.). |