ChemicalBook--->CAS DataBase List--->503555-55-3

503555-55-3

503555-55-3 Structure

503555-55-3 Structure
IdentificationBack Directory
[Name]

PHA 408
[CAS]

503555-55-3
[Synonyms]

PHA 408
PHA-408 >=98% (HPLC)
8-(5-Chloro-2-(4-methylpiperazin-1-yl)isonicotinamido)-1-(4-fluorophenyl)-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide
8-[[5-chloro-2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
1H-Benz[g]indazole-3-carboxamide, 8-[[[5-chloro-2-(4-methyl-1-piperazinyl)-4-pyridinyl]carbonyl]amino]-1-(4-fluorophenyl)-4,5-dihydro-
[Molecular Formula]

C29H27ClFN7O2
[MDL Number]

MFCD17166977
[MOL File]

503555-55-3.mol
[Molecular Weight]

560.02
Chemical PropertiesBack Directory
[Boiling point ]

727.4±60.0 °C(Predicted)
[density ]

1.48±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C
[solubility ]

DMSO: 5mg/mL, clear (warmed)
[form ]

powder
[pka]

10.18±0.20(Predicted)
[color ]

white to beige
[InChIKey]

ZLEZHGHFWIHCGU-UHFFFAOYSA-N
[SMILES]

Fc1ccc(cc1)[n]2nc(c3c2c4c(ccc(c4)NC(=O)c5c(cnc(c5)N6CCN(CC6)C)Cl)CC3)C(=O)N
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P305+P351+P338
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

PHA 408 (PHA-408) is a potent, selective and orally active IκB kinase-2 (IKK-2) inhibitor. PHA 408 is a powerful anti-inflammatory agent against lipopolysaccharide (LPS)- and cigarette smoke (CS)-mediated lung inflammation[1].
[Biological Activity]

PHA-408 is a potentselective I kappa B-kinase 2 (IKK-2) inhibitor. PHA-408 is a tight bindingATP competitive IKK-2 inhibitor with greater than 350-fold selectivity for IKK-2 vs IKK-1 (IC50 values of 10-40 nM at IKK-2 vs 14 μM at IKK-1). PHA-408 was shown to suppress inflammatory cellular eventsand to reduce inflammation in animal models of arthritis.
[IC 50]

IKK-2
[storage]

Store at -20°C
[References]

[1] Rajendrasozhan S, et al. Anti-inflammatory effect of a selective IkappaB kinase-beta inhibitor in rat lung in response to LPS and cigarette smoke. Pulm Pharmacol Ther. 2010 Jun;23(3):172-81. DOI:10.1016/j.pupt.2010.01.002
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