BPK-21 is an active acrylamide that can inhibit T cell activation by blocking ERCC3 function. BPK-21 specifically targets C342 in the helicase ERCC3.

Physicochemical Properties

Molecular Formula	C23H16CL2F3NO2
Molecular Weight	466.28
Exact Mass	465.051
CAS #	2305052-77-9
PubChem CID	138506247
Appearance	White to off-white solid powder
LogP	7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	31
Complexity	612
Defined Atom Stereocenter Count	0
InChi Key	LTDXUNCJQPHZOF-UHFFFAOYSA-N
InChi Code	InChI=1S/C23H16Cl2F3NO2/c1-2-21(30)29(14-15-7-6-10-19(24)22(15)25)16-11-12-20(18(13-16)23(26,27)28)31-17-8-4-3-5-9-17/h2-13H,1,14H2
Chemical Name	N-[(2,3-dichlorophenyl)methyl]-N-[4-phenoxy-3-(trifluoromethyl)phenyl]prop-2-enamide
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	T cell activation is considerably reduced by BPK-21 (20 μM)[1]. Blocking ERCC3 function, which may operate downstream or independently of pathways implicated in NFAT and NF-kB activation, is most likely how BPK-21 reduces T cell activation[1].
References	[1]. Ekaterina V Vinogradova, et al. An Activity-Guided Map of Electrophile-Cysteine Interactions in Primary Human T Cells. Cell. 2020 Aug 20;182(4):1009-1026.e29.

Solubility Data

Solubility (In Vitro)

DMSO: 50 mg/mL (107.23 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 5 mg/mL (10.72 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: 2.5 mg/mL (5.36 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 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: ≥ 2.5 mg/mL (5.36 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 25.0 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	2.1446 mL	10.7232 mL	21.4463 mL
	5 mM	0.4289 mL	2.1446 mL	4.2893 mL
	10 mM	0.2145 mL	1.0723 mL	2.1446 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.