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FK706

CAT: 0804-HY-19269-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-19269-01Size:5 mg
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Description
FK706 is a potent, slow-binding and competitive inhibitor of human neutrophil elastase with an IC50 of 83 nM and a Ki of 4.2 nM. FK706 also inhibits mouse neutrophil elastase and porcine pancreatic elastase with IC50s of 22 nM and 100 nM, respectively, and has no inhibitory activity against other serine proteinases such as human pancreatic trypsin, human pancreatic α-chymotrypsin and human leukocyte cathepsin G. FK706 has anti-inflammatory effect[1][2].
CAS Number
144055-55-0
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Elastase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/fk706.html
Purity
99.16
Solubility
DMSO : 115 mg/mL (ultrasonic) |H2O : ≥ 100 mg/mL
Smiles
O=C(NC(C(C)C)C(C(F)(F)F)=O)[C@H]1N(C([C@H](C(C)C)NC(C2=CC=C(C(NCC(O[Na])=O)=O)C=C2)=O)=O)CCC1
Molecular Formula
C26H32F3N4NaO7
Molecular Weight
592.54
Precautions
H302, H315, H319, H335
References & Citations
[1]Shinguh Y, et al. Biochemical and pharmacological characterization of FK706, a novel elastase inhibitor. Eur J Pharmacol. 1997 Oct 15;337 (1) :63-71.|[2]Numanami H, et al. Serine protease inhibitors modulate smoke-induced chemokine release from human lung fibroblasts. Am J Respir Cell Mol Biol. 2003 Nov;29 (5) :613-9.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

FK 706

structure in first source

CAS Number144055-55-0
PubChem CID132427631
IUPAC Namesodium 2-[[4-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamoyl]benzoyl]amino]acetic acid
Molecular FormulaC26H33F3N4NaO7+
Molecular Weight593.5
Topological Polar Surface Area162
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Heavy Atom Count41
Formal Charge1
Complexity978
SMILES
CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)F)NC(=O)C2=CC=C(C=C2)C(=O)NCC(=O)O.[Na+]
InChI
InChI=1S/C26H33F3N4O7.Na/c1-13(2)19(21(36)26(27,28)29)31-24(39)17-6-5-11-33(17)25(40)20(14(3)4)32-23(38)16-9-7-15(8-10-16)22(37)30-12-18(34)35;/h7-10,13-14,17,19-20H,5-6,11-12H2,1-4H3,(H,30,37)(H,31,39)(H,32,38)(H,34,35);/q;+1/t17-,19?,20-;/m0./s1
InChIKey
DNTYCMNNMGACPR-JSAITXCESA-N
Chemical Structure
2D Structure
2D structure of FK 706
CAS: 144055-55-0
CID: 132427631
Formula: C26H33F3N4NaO7+
MW: 593.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight593.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Exact Mass593.21990317
Monoisotopic Mass593.21990317
Topological Polar Surface Area162 Ų
Heavy Atom Count41
Formal Charge1
Complexity978
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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CatalogName
T15285-01FK706

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