| Identification | Back Directory | [Name]
4-(5H-Dibenzo[a,d]cyclohepten-5-ylidene)-1-[4-(2H-tetrazol-5-yl)butyl]-piperidine | [CAS]
162640-98-4 | [Synonyms]
AT 56
CS-1414
AT56/AT-56
AT 56, >=98%
4-Dibenzo[a,d] cyclohepten-5-ylidene-1-[4-(1H-tetrazol-5-yl) butyl] piperdine
4-Dibenzo[a,d]cyclohepten-5-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
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 | [EINECS(EC#)]
200-256-5 | [Molecular Formula]
C25H27N5 | [MDL Number]
MFCD18086874 | [MOL File]
162640-98-4.mol | [Molecular Weight]
397.52 |
| Chemical Properties | Back Directory | [Boiling point ]
620.4±65.0 °C(Predicted) | [density ]
1.216±0.06 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,Store in freezer, under -20°C | [solubility ]
DMSO: soluble10mg/mL, clear | [form ]
powder | [pka]
4.99±0.10(Predicted) | [color ]
white to beige | [InChIKey]
LQNGMDUIRLSESZ-UHFFFAOYSA-N | [SMILES]
N1(CCCCC2=NNN=N2)CC/C(=C2/C3=CC=CC=C3C=CC3=CC=CC=C3/2)/CC1 |
| Hazard Information | Back Directory | [Uses]
AT-56 is an orally active inhibitor of Lipocalin-type prostaglandin D synthase. | [Biological Activity]
AT-56 is a selective orally active inhibitor of lipocalin-type prostaglandin D synthase (L-PGDS)one of two synthases involved in the production of Prostaglandin D2 (PGD2) from arachidonic acid. PGD2 is a lipid signaling moleculewhich activates two receptorsDP1 involved in centrally mediated processes such as sleep and painand DP2 involved and inflammation. The two PGD synthases involved in its synthesis are hematopoietic (H-PDGS) and lipocalin-type (L-PGDS)which acts to form PGD2 in the CNS and other systems but not in inflammatory cells/tissues. AT-56 binds competitively at the enzymeμs catalytic pocketand has no effect on the production of other PGs or H-PDGS-catalyzed PDG2. AT-56 inhibited PGD2 production by L-PGDS-expressing human TE-671 cells with an IC50 value of 3 μM without affecting production of PGE2 and PGF2but had no effect on the PGD2 production by H-PGDS-expressing human megakaryocytes. | [in vitro]
AT-56 (1-30 μM; 10 minutes) dose-dependently inhibits the production of PGD2 in L-PGDS-expressing human medulloblastoma TE-671 cells with an IC50 of about 3 μM.
| [in vivo]
AT-56 (1-30 mg/kg; p.o.) suppresses the PGD2 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 Cmax (2.15 μg/ml), half-life (1.71 h) and high oral bioavailability (82%). | [storage]
Store at -20°C |
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