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Fuzapladib (calcium)

CAT: 0804-HY-19151CSize: 1 EachDry Ice: NoHazardous: No
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Description
Fuzapladib calcium, an orally active leukocyte-function-associated antigen type 1 (LFA-1) activation inhibitor, is a leukocyte adhesion molecule. Fuzapladib calcium is also a phospholipase A2 (PLA2) inhibitor. Fuzapladib calcium exerts anti-inflammatory effects by inhibiting leukocyte migration into the inflammatory site[1][2].
CAS Number
141284-77-7
Product Name Alternative
IS-741 (calcium)
UNSPSC
12352005
Target
Integrin; Phospholipase
Type
Reference compound
Related Pathways
Cytoskeleton; Metabolic Enzyme/Protease
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/fuzapladib-calcium.html
Smiles
O=C(C1CCCCC1)NC2=CC(C(F)(F)F)=CN=C2NS(=O)(CC)=O.[Ca].[1/2]
Molecular Formula
C15H20F3N3O3S.1/2Ca
Molecular Weight
399.80
References & Citations
[1]Shikama H, et al. Effect of IS-741 on cell adhesion between human umbilical vein endothelial cells and HL-60 cells. Biol Pharm Bull. 1999 Feb;22 (2) :127-31.|[2]Tetsuya Fukunaga, et al. A novel diamino-pyridine derivative (IS-741) attenuates rat ileitis induced by trinitrobenzene sulfonic acid. J Gastroenterol. 2003;38 (5) :451-9. |[3]Noriyuki Kaji, et al. Fuzapladib reduces postsurgical inflammation in the intestinal muscularis externa. J Vet Med Sci. 2023 Sep 21.|[4]C Bassi. IS-741 (Ishihara Sangyo) . Curr Opin Investig Drugs. 2001 Apr;2 (4) :510-2.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

IS-741 calcium
CAS Number141284-77-7
PubChem CID119058011
IUPAC Namecalcium bis(N-[2-(ethylsulfonylamino)-5-(trifluoromethyl)-3-pyridinyl]cyclohexanecarboximidate)
Molecular FormulaC30H38CaF6N6O6S2
Molecular Weight796.9
Topological Polar Surface Area206
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count18
Rotatable Bond Count10
Heavy Atom Count51
Formal Charge0
Complexity569
SMILES
CCS(=O)(=O)NC1=C(C=C(C=N1)C(F)(F)F)N=C(C2CCCCC2)[O-].CCS(=O)(=O)NC1=C(C=C(C=N1)C(F)(F)F)N=C(C2CCCCC2)[O-].[Ca+2]
InChI
InChI=1S/2C15H20F3N3O3S.Ca/c2*1-2-25(23,24)21-13-12(8-11(9-19-13)15(16,17)18)20-14(22)10-6-4-3-5-7-10;/h2*8-10H,2-7H2,1H3,(H,19,21)(H,20,22);/q;;+2/p-2
InChIKey
KOWSTVPGRKYBBD-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of IS-741 calcium
CAS: 141284-77-7
CID: 119058011
Formula: C30H38CaF6N6O6S2
MW: 796.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight796.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count18
Rotatable Bond Count10
Exact Mass796.1824351
Monoisotopic Mass796.1824351
Topological Polar Surface Area206 Ų
Heavy Atom Count51
Formal Charge0
Complexity569
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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