TNF-α-IN-1 is a TNF-α inhibitor, disclosed in patent US20030096841A1, example compound I-7.

Physicochemical Properties

Molecular Formula	C16H14CLN3O5
Molecular Weight	363.752462863922
Exact Mass	363.062
CAS #	444287-49-4
PubChem CID	10270102
Appearance	Light yellow to yellow solid powder
Density	1.5±0.1 g/cm3
Boiling Point	718.6±60.0 °C at 760 mmHg
Flash Point	388.4±32.9 °C
Vapour Pressure	0.0±2.3 mmHg at 25°C
Index of Refraction	1.632
LogP	-0.66
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	25
Complexity	637
Defined Atom Stereocenter Count	0
InChi Key	XRAYWKDMFVKUTJ-UHFFFAOYSA-N
InChi Code	InChI=1S/C16H14ClN3O5/c17-6-12(22)18-7-8-2-1-3-9-13(8)16(25)20(15(9)24)10-4-5-11(21)19-14(10)23/h1-3,10H,4-7H2,(H,18,22)(H,19,21,23)
Chemical Name	2-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]acetamide
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]. Isoindole-imide compounds, compositions, and uses thereof. US20030096841A1.

Solubility Data

Solubility (In Vitro)

DMSO : ~200 mg/mL (~549.83 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 5 mg/mL (13.75 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 50.0 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: ≥ 5 mg/mL (13.75 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 50.0 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	2.7491 mL	13.7457 mL	27.4914 mL
	5 mM	0.5498 mL	2.7491 mL	5.4983 mL
	10 mM	0.2749 mL	1.3746 mL	2.7491 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.