7rh (DDR1-IN-2) is a discoid domain receptor 1 (DDR1) inhibitor (antagonist) with IC50 of 13.1 nM and a relatively weak inhibitory activity against DDR2 with IC50 of 203 nM. 7rh is a reagent for click chemistry. It has Alkyne groups and could undergo CuAAc (copper-catalyzed azide-alkyne cycloaddition reaction) with compounds bearing Azide groups.

Physicochemical Properties

Molecular Formula	C30H29F3N6O
Molecular Weight	546.59
Exact Mass	546.235
CAS #	1429617-90-2
PubChem CID	71550931
Appearance	White to off-white solid powder
Density	1.3±0.1 g/cm3
Index of Refraction	1.616
LogP	4.32
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Heavy Atom Count	40
Complexity	925
Defined Atom Stereocenter Count	0
InChi Key	DDLPXZXBWGJRGK-UHFFFAOYSA-N
InChi Code	InChI=1S/C30H29F3N6O/c1-3-23-6-7-25(16-24(23)5-4-21-18-34-28-8-9-35-39(28)20-21)29(40)36-27-15-22(14-26(17-27)30(31,32)33)19-38-12-10-37(2)11-13-38/h6-9,14-18,20H,3,10-13,19H2,1-2H3,(H,36,40)
Chemical Name	4-ethyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-3-(2-pyrazolo[1,5-a]pyrimidin-6-ylethynyl)benzamide
Synonyms	DDR1 Inhibitor 7rh; 7RH; DDR1-IN-7rh
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	7rh (compound 1) exhibits a strong inhibitory impact on DDR1 (IC50 of 13.1 nM), but its effect on DDR2 (IC50 of 203 nM) is minimal. With IC50 values of 414 and 2500 nM, respectively, 7rh demonstrates inhibitory action against both Bcr-Abl and c-Kit [1].
References	[1]. Tetrahydroisoquinoline-7-carboxamide Derivatives as New Selective Discoidin Domain Receptor 1 (DDR1) Inhibitors. ACS Med Chem Lett. 2017 Feb 9;8(3):327-332.

Solubility Data

Solubility (In Vitro)

DMSO : ~62.5 mg/mL (~114.35 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (3.81 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 (3.81 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	1.8295 mL	9.1476 mL	18.2952 mL
	5 mM	0.3659 mL	1.8295 mL	3.6590 mL
	10 mM	0.1830 mL	0.9148 mL	1.8295 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.