BI-4916 is the precursor to BI-4924. BI-4924 is a NADH/NAD+-competitive inhibitor of phosphoglycerate dehydrogenase (PHGDH). .

Physicochemical Properties

Molecular Formula	C23H24CL2N2O6S
Molecular Weight	527.417463302612
Exact Mass	526.073
CAS #	2244451-48-5
Related CAS #	BI-4924;2244452-09-1
PubChem CID	138911337
Appearance	White to yellow solid powder
LogP	3.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Heavy Atom Count	34
Complexity	830
Defined Atom Stereocenter Count	1
SMILES	ClC1=C(C(C)=CC2=C1C=C(C(N[C@H](CO)C1C=CC(=CC=1)S(CC(=O)OCC)(=O)=O)=O)N2C)Cl
InChi Key	HCDAVCLCBXIYPW-QGZVFWFLSA-N
InChi Code	InChI=1S/C23H24Cl2N2O6S/c1-4-33-20(29)12-34(31,32)15-7-5-14(6-8-15)17(11-28)26-23(30)19-10-16-18(27(19)3)9-13(2)21(24)22(16)25/h5-10,17,28H,4,11-12H2,1-3H3,(H,26,30)/t17-/m1/s1
Chemical Name	ethyl 2-[4-[(1S)-1-[(4,5-dichloro-1,6-dimethylindole-2-carbonyl)amino]-2-hydroxyethyl]phenyl]sulfonylacetate
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

References

[1]. Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) Inhibitor BI-4924 Disrupts Serine Biosynthesis. J Med Chem. 2019 Jul 31.

Solubility Data

Solubility (In Vitro)

DMSO : ~250 mg/mL (~474.01 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (3.94 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	1.8960 mL	9.4801 mL	18.9602 mL
	5 mM	0.3792 mL	1.8960 mL	3.7920 mL
	10 mM	0.1896 mL	0.9480 mL	1.8960 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.