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BF389

CAT: 0804-HY-106897-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-106897-02Size:5 mg
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Description
BF389 (Biofor 389) is an orally active anti-inflammatory and analesis agent. BF389 is also an inhibitor of cyclooxygenase and 5-lipoxygenase, with IC50s of 4 and 8 ug/mL for COX-1 and COX-2 respectively. BF389 can be used for arthritis research[1][2][3].
CAS Number
127245-22-1
Product Name Alternative
Biofor 389
UNSPSC
12352005
Target
COX; Lipoxygenase
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/bf389.html
Solubility
10 mM in DMSO
Smiles
CC(C)(C1=C(C(C(C)(C)C)=CC(/C=C2C(N(OCC/2)C)=O)=C1)O)C
Molecular Formula
C20H29NO3
Molecular Weight
331.45
References & Citations
[1]Bendele AM, et al. Anti-inflammatory activity of BF389, a Di-T-butylphenol, in animal models of arthritis. J Pharmacol Exp Ther. 1992 Jan;260 (1) :300-5.|[2]Wong S, et al. Antiarthritic profile of BF-389--a novel anti-inflammatory agent with low ulcerogenic liability. Agents Actions. 1992 Sep;37 (1-2) :90-8.|[3]Mitchell JA, et al. Selectivity of nonsteroidal antiinflammatory drugs as inhibitors of constitutive and inducible cyclooxygenase. Proc Natl Acad Sci U S A. 1993 Dec 15;90 (24) :11693-7.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Phase 1
Isoform
5-LOX; COX-1; COX-2

Chemical Information

BF-389
CAS Number127245-22-1
PubChem CID6439259
IUPAC Name(4E)-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-methyloxazinan-3-one
Molecular FormulaC20H29NO3
Molecular Weight331.4
XLogP4.9
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity474
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C/2\CCON(C2=O)C
InChI
InChI=1S/C20H29NO3/c1-19(2,3)15-11-13(12-16(17(15)22)20(4,5)6)10-14-8-9-24-21(7)18(14)23/h10-12,22H,8-9H2,1-7H3/b14-10+
InChIKey
BWRYNNCGEDOTRW-GXDHUFHOSA-N
Chemical Structure
2D Structure
2D structure of BF-389
CAS: 127245-22-1
CID: 6439259
Formula: C20H29NO3
MW: 331.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight331.4
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass331.21474379
Monoisotopic Mass331.21474379
Topological Polar Surface Area49.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity474
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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