EphB1-IN-1 (Compound 1) is a potent EphB1 inhibitor (antagonist) with IC50s of 3.0, 15, and 220 nM for EphB1G703C, EphB1T697G, and EphB1WT, respectively.

Physicochemical Properties

Molecular Formula	C16H12CL2N4O2
Molecular Weight	363.198081016541
Exact Mass	362.033
CAS #	1980036-18-7
PubChem CID	126963311
Appearance	White to off-white solid powder
LogP	3.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	24
Complexity	442
Defined Atom Stereocenter Count	0
InChi Key	GVQPPCNXPVHIRJ-UHFFFAOYSA-N
InChi Code	InChI=1S/C16H12Cl2N4O2/c17-7-15(24)21-9-1-3-11-13(5-9)19-8-20-16(11)22-14-6-10(23)2-4-12(14)18/h1-6,8,23H,7H2,(H,21,24)(H,19,20,22)
Chemical Name	2-chloro-N-[4-(2-chloro-5-hydroxyanilino)quinazolin-7-yl]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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light.
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

Targets	IC50: 3.0 nM (EphB1G703C), 15 nM (EphB1T697G), 220 nM (EphB1WT)[1]
ln Vitro	Two Eph kinases in the same cell are orthogonally inhibited by EphB1-IN-1 (Compound 1) and 3MB-PP1 [1].
Cell Assay	Western Blot Analysis[1] Cell Types: HEK293 cells Tested Concentrations: 300 nM Incubation Duration: Experimental Results: Inhibited EphB1G703C. Abolished the autophosphorylation of EphB3WT with little effect on that of EphB1T697G. 100 nM of 3MB-PP1 abolished the autophosphorylation of EphB1T697G but had little effect on that of EphB3WT.
References	[1]. Kung A, et al. A Chemical-Genetic Approach to Generate Selective Covalent Inhibitors of Protein Kinases. ACS Chem Biol. 2017 Jun 16;12(6):1499-1503.

Solubility Data

Solubility (In Vitro)

DMSO: 150 mg/mL (413.00 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 3.75 mg/mL (10.32 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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 37.5 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.7533 mL	13.7665 mL	27.5330 mL
	5 mM	0.5507 mL	2.7533 mL	5.5066 mL
	10 mM	0.2753 mL	1.3767 mL	2.7533 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.