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Diflapolin

CAT: 0804-HY-128171-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-128171-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Diflapolin is a highly active dual 5-lipoxygenase-activating protein (FLAP) /soluble epoxide hydrolase (sEH) inhibitor with marked anti-inflammatory efficacy and high target selectivity. Diflapolin inhibits 5-LOX product formation in intact human monocytes and neutrophils with IC50s of 30 and 170 nM, respectively, and suppressed the activity of isolated sEH (IC50=20 nM) [1].
CAS Number
724453-98-9
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Epoxide Hydrolase; FLAP
Type
Reference compound
Related Pathways
Immunology/Inflammation; Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/diflapolin.html
Purity
99.33
Solubility
DMSO : 83.33 mg/mL (ultrasonic)
Smiles
O=C(NC1=CC=C(Cl)C(Cl)=C1)NC2=CC=C(OCC3=NC4=CC=CC=C4S3)C=C2C
Molecular Formula
C22H17Cl2N3O2S
Molecular Weight
458.36
Precautions
H302, H315, H319, H335
References & Citations
[1]Garscha U, et al. Pharmacological profile and efficiency in vivo of diflapolin, the first dual inhibitor of 5-lipoxygenase-activating protein and soluble epoxide hydrolase. Sci Rep. 2017;7 (1) :9398. Published 2017 Aug 24.
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

Diflapolin
CAS Number724453-98-9
PubChem CID4560409
IUPAC Name1-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-3-(3,4-dichlorophenyl)urea
Molecular FormulaC22H17Cl2N3O2S
Molecular Weight458.4
XLogP6.1
Topological Polar Surface Area91.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity587
SMILES
CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3S2)NC(=O)NC4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C22H17Cl2N3O2S/c1-13-10-15(29-12-21-26-19-4-2-3-5-20(19)30-21)7-9-18(13)27-22(28)25-14-6-8-16(23)17(24)11-14/h2-11H,12H2,1H3,(H2,25,27,28)
InChIKey
FGXLEECGXSDIMM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diflapolin
CAS: 724453-98-9
CID: 4560409
Formula: C22H17Cl2N3O2S
MW: 458.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight458.4
XLogP36.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass457.0418534
Monoisotopic Mass457.0418534
Topological Polar Surface Area91.5 Ų
Heavy Atom Count30
Formal Charge0
Complexity587
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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CatalogName
MBS5765002Diflapolin

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