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CK-119

CAT: 0013-GTR19195031-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195031-01Size:25 mg
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Description
CK-119 is an interleukin-1 (IL-1) blocker that suppresses fibroblast-like corneal and conjunctival cell proliferation by inhibiting DNA and RNA synthesis. It is a valuable research tool for studying ocular fibrosis and inflammation in both in vitro cell culture and in vivo animal models.
CAS Number
197917-10-5
Field of Research
Immunology & Inflammation
Smiles
C (OCC) (=O) C1 (C) C2=C (N (C) N=C1C (OCC) =O) C=NN (CC3=CC=C (Cl) C=C3) C2=O
Molecular Formula
C21H23ClN4O5
Molecular Weight
446.88
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pyridazino(4,5-C)pyridazine-3,4-dicarboxylic acid, 6-((4-chlorophenyl)methyl)-1,4,5,6-tetrahydro-1,4-dimethyl-5-oxo-, 3,4-diethyl ester
CAS Number197917-10-5
PubChem CID9824849
IUPAC Namediethyl 6-[(4-chlorophenyl)methyl]-1,4-dimethyl-5-oxopyridazino[4,5-c]pyridazine-3,4-dicarboxylate
Molecular FormulaC21H23ClN4O5
Molecular Weight446.9
XLogP2.9
Topological Polar Surface Area101
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity847
SMILES
CCOC(=O)C1=NN(C2=C(C1(C)C(=O)OCC)C(=O)N(N=C2)CC3=CC=C(C=C3)Cl)C
InChI
InChI=1S/C21H23ClN4O5/c1-5-30-19(28)17-21(3,20(29)31-6-2)16-15(25(4)24-17)11-23-26(18(16)27)12-13-7-9-14(22)10-8-13/h7-11H,5-6,12H2,1-4H3
InChIKey
FVWILZZSXZMAHY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyridazino(4,5-C)pyridazine-3,4-dicarboxylic acid, 6-((4-chlorophenyl)methyl)-1,4,5,6-tetrahydro-1,4-dimethyl-5-oxo-, 3,4-diethyl ester
CAS: 197917-10-5
CID: 9824849
Formula: C21H23ClN4O5
MW: 446.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.9
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass446.1356975
Monoisotopic Mass446.1356975
Topological Polar Surface Area101 Ų
Heavy Atom Count31
Formal Charge0
Complexity847
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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