IDO1-IN-19

• CAT Number: I043713
• CAS Number: 2328099-11-0
• Molecular Formula: C25H22F4N2O3
• Molecular Weight: 474.45
• Purity: ≥95%
• Synonyms: N-(4-fluorophenyl)-3-[4-[4-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)pyridin-3-yl]phenyl]oxetane-3-carboxamide
• InChI: InChI=1S/C25H22F4N2O3/c1-23(2,33)20-11-21(25(27,28)29)30-12-19(20)15-3-5-16(6-4-15)24(13-34-14-24)22(32)31-18-9-7-17(26)8-10-18/h3-12,33H,13-14H2,1-2H3,(H,31,32)
• InChIKey: ICJRFPZBMMQAPU-UHFFFAOYSA-N
• SMILES: CC(C)(C1=CC(=NC=C1C2=CC=C(C=C2)C3(COC3)C(=O)NC4=CC=C(C=C4)F)C(F)(F)F)O

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].
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

Reference

[1]. Derun Li, et al. Oxetane Promise Delivered: Discovery of Long-Acting IDO1 Inhibitors Suitable for Q3W Oral or Parenteral Dosing.