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ABT-080

CAT: 0804-HY-113628-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-113628-05Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ABT-080 is an orally active inhibitor of leukotriene biosynthesis. ABT-080 simultaneously blocks the leukotriene pathways leading to the synthesis of LTB4 and LTC4, but does not inhibit PGH2 biosynthesis. ABT-080 can block bronchoconstriction and be used in the research of asthma and related inflammations[1]
CAS Number
189498-57-5
Product Name Alternative
VML-530
UNSPSC
12352005
Target
Leukotriene Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/abt-080.html
Solubility
10 mM in DMSO
Smiles
O=C(CCC(C)(C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C=C2)C4=CC=C(C=C4)OCC5=NC6=CC=CC=C6C=C5)O[Na]
Molecular Formula
C37H31N2NaO4
Molecular Weight
590.64
References & Citations
[1]Kolasa T, et al. Symmetrical bis (heteroarylmethoxyphenyl) alkylcarboxylic acids as inhibitors of leukotriene biosynthesis. J Med Chem. 2000 Aug 24;43 (17) :3322-34.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Phase 1

Chemical Information

4,4-Bis(4-(2-quinolylmethoxy)phenyl)pentanoic acid sodium salt
CAS Number189498-57-5
PubChem CID23690851
IUPAC Namesodium 4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]pentanoate
Molecular FormulaC37H31N2NaO4
Molecular Weight590.6
Topological Polar Surface Area84.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count44
Formal Charge0
Complexity816
SMILES
CC(CCC(=O)[O-])(C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C=C2)C4=CC=C(C=C4)OCC5=NC6=CC=CC=C6C=C5.[Na+]
InChI
InChI=1S/C37H32N2O4.Na/c1-37(23-22-36(40)41,28-12-18-32(19-13-28)42-24-30-16-10-26-6-2-4-8-34(26)38-30)29-14-20-33(21-15-29)43-25-31-17-11-27-7-3-5-9-35(27)39-31;/h2-21H,22-25H2,1H3,(H,40,41);/q;+1/p-1
InChIKey
IQIPMOPRODKMFM-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of 4,4-Bis(4-(2-quinolylmethoxy)phenyl)pentanoic acid sodium salt
CAS: 189498-57-5
CID: 23690851
Formula: C37H31N2NaO4
MW: 590.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight590.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass590.21815176
Monoisotopic Mass590.21815176
Topological Polar Surface Area84.4 Ų
Heavy Atom Count44
Formal Charge0
Complexity816
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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