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ChemicalBook--->CAS DataBase List--->1698878-14-6

1698878-14-6

1698878-14-6 Structure

1698878-14-6 Structure
IdentificationBack Directory
[Name]

Nampt-IN-1
[CAS]

1698878-14-6
[Synonyms]

Nampt-IN-1
LSN3154567
Nampt inhibitor 1
LSN3154567 (Nampt-IN-1)
LSN 3154567;LSN-3154567;LSN3154567
2-hydroxy-2-methyl-N-[1,2,3,4-tetrahydro-2-[2-(3-pyridinyloxy)acetyl]-6-
2-Hydroxy-2-methyl-N-[1,2,3,4-tetrahydro-2-[2-(3-pyridinyloxy)acetyl]-6-isoquinolinyl]-1-propanesulfonamide
2-hydroxy-2-methyl-N-(2-(2-(pyridin-3-yloxy)acetyl)-1,2,3,4-tetrahydroisoquinolin-6-yl)propane-1-sulfonamide
1-Propanesulfonamide, 2-hydroxy-2-methyl-N-[1,2,3,4-tetrahydro-2-[2-(3-pyridinyloxy)acetyl]-6-isoquinolinyl]-
[Molecular Formula]

C20H25N3O5S
[MDL Number]

MFCD28963946
[MOL File]

1698878-14-6.mol
[Molecular Weight]

419.49
Chemical PropertiesBack Directory
[Boiling point ]

659.9±65.0 °C(Predicted)
[density ]

1.363±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMSO: Soluble
[form ]

powder
[pka]

8.67±0.20(Predicted)
[color ]

white to beige
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Description]

Nampt-IN-1 is a potent inhibitor of nicotinamide phosphoribosyltransferase (Nampt; IC50 = 3.1 nM). It is selective for Nampt over a panel of greater than 100 human kinases at 1 μM. Nampt-IN-1 inhibits NAD+ formation in and proliferation of HCT116 cells (IC50s = 1.8 and 8.9 nM, respectively). It inhibits cell growth in a panel of cancer cell lines (IC50s = <0.2-2 μM). Nampt-IN-1 inhibits NAD+ formation in an A2780 ovarian carcinoma mouse xenograft model (ED50 = 2 mg/kg).
[Uses]

Nampt-IN-1 functions as a co-drug. Nampt-IN-1 is a potent and selective NAMPT inhibitor.
[Biochem/physiol Actions]

LSN3154567 might be useful in developing a novel cancer therapeutic.
[in vivo]

Nampt-IN-1 (LSN3154567) exhibits good physical chemical properties that allow oral dosing. When dosed orally with 2 mg/kg in mice, it has an exposure of 195 nM*hour in the plasma with a peak concentration of 57 nM (at 0.25 hour) and an oral bioavailability of 39%. When dosed intravenously with 2 mg/kg, it has a hepatic clearance of 158.73 mL/min/kg and a volume of distribution at 7.1 L/kg. The half-life of terminal elimination is estimated to be 2.76 hours. LSN3154567 exhibits a dose-dependent inhibition of NAD+ formation with estimated TED50 value of 2.0 mg/kg. To assess whether LSN3154567 causes retinopathy, rats are treated with LSN3154567 at 20, 40, and 80 mg/kg for 4 days. No apparent retinopathy is observed. The hematological toxicities are observed. When LSN3154567 is dosed at 20, 40, and 80 mg/kg, the plasma exposures obtained are 8,974, 18,061, and 38,327 M*h, respectively. Thus, LSN3154567 exhibits exposure multiples of respective 3-, 7-, and 14-fold over the exposure (2,701 M*h) required for robust efficacy (≈103%) without NA coadministration. Dogs are treated with LSN3154567 at 1 and 2.5 mg/kg. At these dose levels, the retinal toxicity is observed. Degeneration of the outer nuclear layer occurred in all four animals, but is less pronounced in the animals treated with 1 mg/kg. At the 1 and 2.5 mg/kg dose levels, the plasma exposures are determined to be 1,483 and 2,468 nM*h, respectively[1].

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