NLG-1487 (IDO-IN-8) is a novel and potent indoleamine 2,3-dioxygenase (IDO) inhibitor with anticancer and immunomodulatory effects. It inhibits IDO with IC50s of 1-10 μM. Extracted from patent WO WO2012142237A1, compound 1487.

Physicochemical Properties

Molecular Formula	C18H21FN2O2
Molecular Weight	316.369948148727
Exact Mass	316.158
CAS #	1402837-77-7
Related CAS #	IDO-IN-5;1402837-79-9;IDO-IN-6;1402837-76-6;Navoximod;1402837-78-8
PubChem CID	70914212
Appearance	White to off-white solid powder
Density	1.4±0.1 g/cm3
Boiling Point	555.4±35.0 °C at 760 mmHg
Flash Point	289.7±25.9 °C
Vapour Pressure	0.0±1.6 mmHg at 25°C
Index of Refraction	1.683
LogP	1.28
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	23
Complexity	416
Defined Atom Stereocenter Count	2
SMILES	C1CC(CCC1[C@H](C[C@@H]2C3=C(C=CC=C3F)C4=CN=CN24)O)O
InChi Key	YGACXVRLDHEXKY-LHLWNEDTSA-N
InChi Code	InChI=1S/C18H21FN2O2/c19-14-3-1-2-13-16-9-20-10-21(16)15(18(13)14)8-17(23)11-4-6-12(22)7-5-11/h1-3,9-12,15,17,22-23H,4-8H2/t11?,12?,15-,17+/m1/s1
Chemical Name	4-[(1S)-2-[(5R)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

ln Vitro	IDO-IN-8, also known as Compound 487, is an inhibitor of indoleamine 2,3-dioxygenase (IDO) with an IC50 of 1–10 μM, meaning that 50% of the enzyme activity is inhibited by recombinant IDO-IN (human IDO) [1].
References	[1]. Preparation of fused imidazole derivatives as IDO inhibitors. From PCT Int. Appl. (2012), 20121018.

Solubility Data

Solubility (In Vitro)

Ethanol : ~100 mg/mL (~316.09 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (7.90 mM) (saturation unknown) in 10% EtOH + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear EtOH stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (7.90 mM) (saturation unknown) in 10% EtOH + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear EtOH stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (7.90 mM) (saturation unknown) in 10% EtOH + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear EtOH stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	3.1609 mL	15.8043 mL	31.6086 mL
	5 mM	0.6322 mL	3.1609 mL	6.3217 mL
	10 mM	0.3161 mL	1.5804 mL	3.1609 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.