AZD3988 is an orally bioactive DGAT-1 inhibitor. AZD3988 has excellent potency against DGAT-1 (human) with IC50 of 0. 6 nM. AZD3988 may be utilized in study/research of metabolic diseases like diabetes and obesity.

Physicochemical Properties

Molecular Formula	C23H22F2N4O4
Molecular Weight	456.44
Exact Mass	456.161
CAS #	892489-52-0
PubChem CID	23648867
Appearance	White to off-white solid powder
Density	1.402
Index of Refraction	1.627
LogP	5.238
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Heavy Atom Count	33
Complexity	671
Defined Atom Stereocenter Count	0
InChi Key	NGEBYTLALFOQKI-UHFFFAOYSA-N
InChi Code	InChI=1S/C23H22F2N4O4/c24-18-10-9-17(12-19(18)25)27-23-29-28-22(33-23)21(32)26-16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-20(30)31/h5-10,12-14H,1-4,11H2,(H,26,32)(H,27,29)(H,30,31)
Chemical Name	2-[4-[4-[[5-(3,4-difluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid
Synonyms	AZD3988 AZD 3988 AZD-3988
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	AZD3988 (compound 53) has an IC50 value of 0 and can inhibit DGAT-1 at 10 μM. Human: 6 nM, 0. 0.5 nM (HuTu 80 cells), 1.1 nM (mouse), and 5 nM (rat) [1].
ln Vivo	AZD3988 (compound 53) exhibits good in vivo pharmacokinetic effectiveness (iv, po; 0.5, 1, 2, 5 mg/kg) [1].
Animal Protocol	Animal/Disease Models: Mice, rats and dogs [1] Doses: 0.5, 1, 2, 5 mg/kg Route of Administration: intravenous (iv) (iv)injection of 0.5 mg/kg (mouse), 2 mg/kg (rat) and 1 mg/kg (dog) and orally 1 mg/kg (mouse), 5 mg/kg (rat) and 1 mg/kg (dog) Experimental Results: Species Clp (mL/min/kg) Vdss(L/kg) IV Half-life (h) po Half-life (h) po Cmax (lM) Bioavailability (%) Mice 4.6 0.99 4.9 4.7 1.9 >100 Rats 1.1 0.35 3.4 5.8 20 >100 Dogs 2.5 0.36 1.8 5.7 1.5 32
References	[1]. Identification, optimisation and in vivo evaluation of oxadiazole DGAT-1 inhibitors for the treatment of obesity and diabetes. Bioorg Med Chem Lett. 2012 Jun 15;22(12):3873-8.

Solubility Data

Solubility (In Vitro)

DMSO : ~16.67 mg/mL (~36.52 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 1.67 mg/mL (3.66 mM) (saturation unknown) in 10% DMSO + 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 16.7 mg/mL clear DMSO 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 2: ≥ 1.67 mg/mL (3.66 mM) (saturation unknown) in 10% DMSO + 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 16.7 mg/mL clear DMSO 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	2.1909 mL	10.9543 mL	21.9087 mL
	5 mM	0.4382 mL	2.1909 mL	4.3817 mL
	10 mM	0.2191 mL	1.0954 mL	2.1909 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.