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ABT-080

CAT: 1410-M12975-03Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M12975-03Size:1 mL x 10 mM in DMSO
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ABT-080 is a potent FLAP inhibitor that inhibits ionophore-stimulated LTB (4) formation with with IC50 of 20 nM.
CAS Number
189498-57-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
590.655
Molecular Formula
C37H31N2NaO4
Notes
Research use only, not for human use.
Receptor
FLAP

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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