| Identification | Back Directory | [Name]
3-Oxetanecarboxamide, N-(4-fluorophenyl)-3-[4-[4-(1-hydroxy-1-methylethyl)-6-(trifluoromethyl)-3-pyridinyl]phenyl]- | [CAS]
2328099-11-0 | [Synonyms]
IDO1-IN-19
3-Oxetanecarboxamide, N-(4-fluorophenyl)-3-[4-[4-(1-hydroxy-1-methylethyl)-6-(trifluoromethyl)-3-pyridinyl]phenyl]- | [Molecular Formula]
C25H22F4N2O3 | [MOL File]
2328099-11-0.mol | [Molecular Weight]
474.45 |
| Chemical Properties | Back Directory | [Boiling point ]
615.4±55.0 °C(Predicted) | [density ]
1.366±0.06 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [form ]
Solid | [pka]
12.89±0.70(Predicted) | [color ]
White to off-white |
| Hazard Information | Back Directory | [Description]
IDO1-IN-19 (Compound 17) is a potent inhibitor of IDO1. IDO1-IN-19 has the potential for the research of cancer diseases[1]. | [Uses]
IDO1-IN-19 (Compound 17) is an orally active IDO1 inhibitor with an IC50 of CYP2C9 of 8.64 μM. IDO1-IN-19 also acts funciton on cardiac channels, with IC50s of 12 μM (IKr), 40 μM (INa), 8.3 μM (ICa), respectively. IDO1-IN-19 has the potential to study cancer diseases[1]. | [in vivo]
IDO1-IN-19 (0.3-30 mg/kg; oral; single dose) reduces Kyn levels in tumors of hIDO1 transgenic tumor-bearing mice (Kyn is a metabolite of IDO that catalyzes Trp in vivo)[1].
Pharmacokinetic Analysis of IDO1-IN-19[1]
| Animal | Route | Dose (mg/kg) | Cl (mL/min/kg) | t1/2 (h) | F (%) (SDD) | F (%) crystalline | fu'p | | Rat (Wistar Han) | IV/PO | 0.5/1.0 | 10.6 | 7.4 | 62 | 27 | 7.7 | | Dog | IV/PO | 0.25/0.5 | 1.0 | 43 | 50 | 16 | 3.3 |
| Animal Model: | CT26 tumor-bearing model in hIDO1-konck-in mice[1] | | Dosage: | 0.3 mg/kg, 3 mg/kg, 10 mg/kg, and 30 mg/kg | | Administration: | po, single dose; euthanized mouse at 2, 4, 8, 16, and 24 h following dose. | | Result: | Resulted dose-dependent reduction of Kyn both in plasma and tumor.
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| [IC 50]
IDO1; CYP2C9: 8.64 μM (IC50); ICa: 8.3 μM (IC50); IKr: 12 μM (IC50) | [References]
[1] Derun Li, et al. Oxetane Promise Delivered: Discovery of Long-Acting IDO1 Inhibitors Suitable for Q3W Oral or Parenteral Dosing. |
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