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Fuzapladib (sodium)

CAT: 0804-HY-19151A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-19151A-01Size:5 mg
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Description
Fuzapladib (IS-741) sodium, an orally active leukocyte-function-associated antigen type 1 (LFA-1) activation inhibitor, is a leukocyte adhesion molecule. Fuzapladib sodium is also a phospholipase A2 (PLA2) inhibitor. Fuzapladib sodium exerts anti-inflammatory effects by inhibiting leukocyte migration into the inflammatory site[1][2].
CAS Number
141284-73-3
Product Name Alternative
IS-741 (sodium)
UNSPSC
12352005
Target
Integrin; Phospholipase
Type
Reference compound
Related Pathways
Cytoskeleton; Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/fuzapladib-sodium.html
Purity
99.61
Solubility
DMSO : 100 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C(C1CCCCC1)NC2=CC(C(F)(F)F)=CN=C2NS(=O)(CC)=O.[Na]
Molecular Formula
C15H20F3N3NaO3S
Molecular Weight
402.39
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
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

IS-741 sodium

See also: Fuzapladib (has active moiety); Fuzapladib sodium (annotation moved to).

CAS Number141284-73-3
PubChem CID23711649
IUPAC Namesodium [3-(cyclohexanecarbonylamino)-5-(trifluoromethyl)-2-pyridinyl]-ethylsulfonylazanide
Molecular FormulaC15H19F3N3NaO3S
Molecular Weight401.4
Topological Polar Surface Area85.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity563
SMILES
CCS(=O)(=O)[N-]C1=C(C=C(C=N1)C(F)(F)F)NC(=O)C2CCCCC2.[Na+]
InChI
InChI=1S/C15H20F3N3O3S.Na/c1-2-25(23,24)21-13-12(8-11(9-19-13)15(16,17)18)20-14(22)10-6-4-3-5-7-10;/h8-10H,2-7H2,1H3,(H2,19,20,21,22);/q;+1/p-1
InChIKey
RVWHCCQDZKMPAZ-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of IS-741 sodium
CAS: 141284-73-3
CID: 23711649
Formula: C15H19F3N3NaO3S
MW: 401.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight401.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass401.09969142
Monoisotopic Mass401.09969142
Topological Polar Surface Area85.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity563
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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