Cathepsin C-IN-5 (compound SF38) is a specific and orally bioactive cathepsin C inhibitor (antagonist) with IC50s of 59.9 nM for Cat C, Cat L, Cat S, Cat B and Cat K respectively. , 4.26 µM, >5 µM, >5 µM, >5 µM. Cathepsin C-IN-5 inhibits Cat C activity in bone marrow and blood. Cathepsin C-IN-5 reduces the activation of NSP (neutrophil serine protease). Cathepsin C-IN-5 exhibits anti-inflammatory effect.

Physicochemical Properties

Molecular Formula	C21H17CLN6OS
Molecular Weight	436.917280912399
Exact Mass	436.087
CAS #	2825567-97-1
PubChem CID	163409160
Appearance	White to off-white solid powder
LogP	4.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	30
Complexity	572
Defined Atom Stereocenter Count	0
SMILES	C(NC1=CC=CC(NC2C(Cl)=CN=C(NC3=NC=C(C4C=CSC=4)C=C3)N=2)=C1)(=O)C
InChi Key	CVEIEBFUSJRUSP-UHFFFAOYSA-N
InChi Code	InChI=1S/C21H17ClN6OS/c1-13(29)25-16-3-2-4-17(9-16)26-20-18(22)11-24-21(28-20)27-19-6-5-14(10-23-19)15-7-8-30-12-15/h2-12H,1H3,(H,25,29)(H2,23,24,26,27,28)
Chemical Name	N-[3-[[5-chloro-2-[(5-thiophen-3-ylpyridin-2-yl)amino]pyrimidin-4-yl]amino]phenyl]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	Cathepsin C
ln Vitro	With IC50s of 115.4 and 70.2 nM, respectively, cathepsin C-IN-5 (compound SF38) shows inhibitory effects in THP-1 and U937 cells [1].
ln Vivo	In ICR mice, cathepsin C-IN-5 (1500 mg/kg) did not cause any appreciable weight loss or toxicity during 7 days of dosing[1]. The bioavailability of cathepsin C-IN-5 (oral 10 mg/kg; intravenous 2 mg/kg) is good (F=42.07%)[1]. In animal models of acute lung injury (ALI), cathepsin C-IN-5 (2, 10, 50 mg/kg; po) exhibits strong anti-inflammatory action and possible protective benefits[1].
Animal Protocol	Animal/Disease Models: C57BL/6 male mice (acute lung injury (ALI) mice model)[1] Doses: 2, 10, 50 mg/kg (one hour after administration, received LPS (20 mg/kg)) Route of Administration: Po Experimental Results: diminished the levels of proinflammatory cytokines (TNF-a, IL-6, and GM-CSF) and increased the concentration of the anti-inflammatory cytokine (IL-10) in a dose-dependent manner.
References	[1]. Non-peptidyl non-covalent cathepsin C inhibitoEEr bearing a unique thiophene-substituted pyridine: Design, structure-activity relationship and anti-inflammatory activity in vivo. Eur J Med Chem. 2022 Jun 5;236:114368.

Solubility Data

Solubility (In Vitro)

DMSO: 20 mg/mL (45.77 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2 mg/mL (4.58 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 20.0 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	2.2887 mL	11.4437 mL	22.8875 mL
	5 mM	0.4577 mL	2.2887 mL	4.5775 mL
	10 mM	0.2289 mL	1.1444 mL	2.2887 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.