CAS 1033836-12-2|HPGDS inhibitor 1

Introduction：Basic information about CAS 1033836-12-2|HPGDS inhibitor 1, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameHPGDS inhibitor 1
CAS Number1033836-12-2Molecular Weight381.367
Density1.3±0.1 g/cm3Boiling Point487.2±45.0 °C at 760 mmHg
Molecular FormulaC19H19F4N3OMelting Point/
MSDS/Flash Point248.5±28.7 °C

Names

Name6-(3-fluorophenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
SynonymMore Synonyms

HPGDS inhibitor 1 BiologicalActivity

DescriptionHPGDS inhibitor 1 is a novel and selective Hematopoietic Prostaglandin D Synthase (HPGDS) inhibitor with an IC50 Value of 0.7 nM.IC50 Value: 0.7 nM [1]Target: HPGDSHPGDS inhibitor 1 was elected for further profiling based on its enzyme and cell potency. The compound illustrated equal potency against purified HPGDS from human , rat, dog, and sheep (IC50, 0.5-2.3 nM). HPGDS inhibitor 1 was profiled in a panel of cellular assays to screen for activity against several relevant human enzyme targets. Those assay indicated that HPGDS inhibitor 1 does not inhibit human L- PGDS, m-PGDS, COX-1, COX-2 or 5 LOX (IC50 values > 10000 nM).HPGDS inhibitor 1 had a solubility of 1.5 ug/ml (3.9 uM) at pH 6.5. The compound had excellent PK characteristics when dosed in rats at 1 mpk with 76% bioavailavility. Rats dosed orally with 1 and 10 mpk HPGDS inhibitor 1 were sacrificed at various times, and plasma concentrations of HPGDS inhibitor 1 and spleen PGD2 concentrations were measured. Oral administration of HPGDS inhibitor 1 blocked PGD2 production in the rat spleen; inhibition of PGD2 was inversely correlated with the plasma concentration of HPGDS inhibitor 1 in a time and dose-dependent manner. Spleen PGD2 levels fall as HPGDS inhibitor 1 plasma levels increase over time; PGD2 levels return to baseline levels as HPGDS inhibitor 1 plasma levels decline.
Related CatalogSignaling Pathways >>Immunology/Inflammation >>PGE synthaseResearch Areas >>Inflammation/Immunology
References

[1]. Chris P. Carron, et al. Discovery of an Oral Potent Selective Inhibitor of Hematopoietic Prostaglandin D Synthase (HPGDS). ACS Med. Chem. Lett., 2010, 1 (2), pp 59-63

Chemical & Physical Properties

Density1.3±0.1 g/cm3
Boiling Point487.2±45.0 °C at 760 mmHg
Molecular FormulaC19H19F4N3O
Molecular Weight381.367
Flash Point248.5±28.7 °C
Exact Mass381.146423
PSA48.72000
LogP3.24
Appearance of Characterswhite solid
Vapour Pressure0.0±1.2 mmHg at 25°C
Index of Refraction1.559
InChIKeyLPUCBGGXXIUBAZ-UHFFFAOYSA-N
SMILESO=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(-c2cccc(F)c2)nc1
Storage condition-20℃

Synonyms

KXO
HPGDS inhibitor 1
6-(3-Fluorophenyl)-N-[1-(2,2,2-trifluoroethyl)-4-piperidinyl]nicotinamide
3-Pyridinecarboxamide, 6-(3-fluorophenyl)-N-[1-(2,2,2-trifluoroethyl)-4-piperidinyl]-
CAS 796069-97-1|1H-Pyrazole-4-carboxamide, N-[5-[(cyclopropylamino)carbonyl]-2-Methylphenyl]-
CAS 444606-18-2|SB-681323
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