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Cathepsin C-IN-5

CAT: 0804-HY-146584-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-146584-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Cathepsin C-IN-5 (compound SF38) is a potent, selective and orally active Cathepsin C inhibitor with IC50s of 59.9 nM, 4.26 μM, >5 μM, >5 μM, >5 μM for Cat C, Cat L, Cat S, Cat B, Cat K, respectively. Cathepsin C-IN-5 inhibits the Cat C activity in bone marrow and blood. Cathepsin C-IN-5 decreases the activation of NSPs (neutrophil serine proteases) . Cathepsin C-IN-5 shows anti-inflammatory activity[1].
CAS Number
2825567-97-1
UNSPSC
12352005
Target
Cathepsin
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/cathepsin-c-in-5.html
Purity
95.70
Solubility
DMSO : 20 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
CC(NC1=CC=CC(NC2=C(C=NC(NC3=NC=C(C=C3)C4=CSC=C4)=N2)Cl)=C1)=O
Molecular Formula
C21H17ClN6OS
Molecular Weight
436.92
References & Citations
[1]Chen X, et al. 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.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Cathepsin C

Chemical Information

Cathepsin C-IN-5
CAS Number2825567-97-1
PubChem CID163409160
IUPAC NameN-[3-[[5-chloro-2-[(5-thiophen-3-yl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide
Molecular FormulaC21H17ClN6OS
Molecular Weight436.9
XLogP4.3
Topological Polar Surface Area120
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity572
SMILES
CC(=O)NC1=CC=CC(=C1)NC2=NC(=NC=C2Cl)NC3=NC=C(C=C3)C4=CSC=C4
InChI
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)
InChIKey
CVEIEBFUSJRUSP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cathepsin C-IN-5
CAS: 2825567-97-1
CID: 163409160
Formula: C21H17ClN6OS
MW: 436.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight436.9
XLogP34.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass436.0873081
Monoisotopic Mass436.0873081
Topological Polar Surface Area120 Ų
Heavy Atom Count30
Formal Charge0
Complexity572
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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