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Bunaprolast

CAT: 0804-HY-U00170-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-U00170-01Size:1 mg
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Description
Bunaprolast (U66858) is a potent inhibitor of LTB4 production in human whole blood. Bunaprolast (U66858) also exhibits significant inhibition of lipoxygenase and TXB2 release.
CAS Number
99107-52-5
Product Name Alternative
U66858
UNSPSC
12352005
Target
Leukotriene Receptor; Lipoxygenase; Prostaglandin Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Metabolic Enzyme/Protease
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Inflammation/Immunology; Endocrinology
Assay Protocol
https://www.medchemexpress.com/U66858.html
Solubility
10 mM in DMSO
Smiles
COC1=C2C=CC=CC2=C(OC(C)=O)C(CCCC)=C1
Molecular Formula
C17H20O3
Molecular Weight
272.34
References & Citations
[1]Summers JA, et al. Lipoxygenase inhibitory activity of U-66,858 and its deacetylated metabolite U-68,244 in human whole blood. Agents Actions. 1994 Mar;41 (1-2) :32-6.|[2]Johnson HG, et al. Activity of a novel hydroquinone inhibitor of leukotriene synthesis (U-66,858) in the rhesus monkey Ascaris reactor. Int Arch Allergy Appl Immunol. 1988;87 (2) :204-7.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
5-LOX; LTB4; TXB2

Chemical Information

Bunaprolast

Bunaprolast is a small molecule drug. Bunaprolast has a monoisotopic molecular weight of 272.14 Da.

CAS Number99107-52-5
PubChem CID68730
IUPAC Name(2-butyl-4-methoxynaphthalen-1-yl) acetate
Molecular FormulaC17H20O3
Molecular Weight272.34
XLogP4.8
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count20
Formal Charge0
Complexity315
SMILES
CCCCC1=C(C2=CC=CC=C2C(=C1)OC)OC(=O)C
InChI
InChI=1S/C17H20O3/c1-4-5-8-13-11-16(19-3)14-9-6-7-10-15(14)17(13)20-12(2)18/h6-7,9-11H,4-5,8H2,1-3H3
InChIKey
XKKGMVDIONCFKP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bunaprolast
CAS: 99107-52-5
CID: 68730
Formula: C17H20O3
MW: 272.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.34
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass272.14124450
Monoisotopic Mass272.14124450
Topological Polar Surface Area35.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity315
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

Alternative Products

CatalogName
T17191-01Bunaprolast

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