BI 99179 is a potent and specific inhibitor of type I fatty acid synthase (FAS) with IC50 of 79 nM. BI 99179 is a tool compound suitable for the in vivo validation of FAS as a target for diseases related to lipid metabolism. oral gavage of BI 99179 in rats demonstrated significant peripheral and central exposure.

Physicochemical Properties

Molecular Formula	C23H25N3O3
Molecular Weight	391.46290564537
Exact Mass	391.189
CAS #	1291779-76-4
PubChem CID	51346964
Appearance	White to off-white solid powder
Density	1.3±0.1 g/cm3
Boiling Point	603.1±55.0 °C at 760 mmHg
Flash Point	318.5±31.5 °C
Vapour Pressure	0.0±1.7 mmHg at 25°C
Index of Refraction	1.633
LogP	3.12
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	29
Complexity	590
Defined Atom Stereocenter Count	2
SMILES	CCC(=O)N[C@H]1CC[C@H](C1)C(=O)N(C)C2=CC=C(C=C2)C3=NC4=CC=CC=C4O3
InChi Key	YNFDIGJKJPNFFD-SJORKVTESA-N
InChi Code	InChI=1S/C23H25N3O3/c1-3-21(27)24-17-11-8-16(14-17)23(28)26(2)18-12-9-15(10-13-18)22-25-19-6-4-5-7-20(19)29-22/h4-7,9-10,12-13,16-17H,3,8,11,14H2,1-2H3,(H,24,27)/t16-,17+/m1/s1
Chemical Name	(1R,3S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-methyl-3-(propanoylamino)cyclopentane-1-carboxamide
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	BI 99179 has 0.6 μM IC50 activity in mouse hypothalamus N-42 cells. In cytotoxicity tests up to 30 μM, BI 99179 did not exhibit any appreciable LDH release [1]. Human proliferative GAMG cells demonstrate the anti-tumor efficaciousness of BI 99179 (BI-99179; 1, 2 and 4 μM) [2].
ln Vivo	BI 99179 exhibits a remarkable pharmacokinetic profile with a half-life (t1/2) of 3.0 hours in the vehicle Han/Wistar platform (border application 4 mg/kg)[1].
Cell Assay	Cell Proliferation Assay[2] Cell Types: Human Glioma GAMG Cell Tested Concentrations: 1, 2, 4 µM Incubation Duration: 96 to 120 hrs (hours) Experimental Results: The optimal palmitate concentration for GAMG cell line was 4 µM.
References	[1]. Discovery of BI 99179, a potent and selective inhibitor of type I fatty acid synthase with central exposure.Bioorg Med Chem Lett. 2011 Oct 1;21(19):5924-7. [2]. Evaluation of FASN inhibitors by a versatile toolkit reveals differences in pharmacology between human and rodent FASN preparations and in antiproliferative efficacy in vitro vs. in situ in human cancer cells. Eur J Pharm Sci. 2020 Apr 7;149:105321.

Solubility Data

Solubility (In Vitro)

DMSO : ~125 mg/mL (~319.32 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (5.31 mM) (saturation unknown) in 10% DMSO + 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 20.8 mg/mL clear DMSO 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: ≥ 2.08 mg/mL (5.31 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 20.8 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 3: ≥ 2.08 mg/mL (5.31 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 20.8 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	2.5545 mL	12.7727 mL	25.5454 mL
	5 mM	0.5109 mL	2.5545 mL	5.1091 mL
	10 mM	0.2555 mL	1.2773 mL	2.5545 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.