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MK-591

CAT: 1410-M12014-01Size: 1 EachDry Ice: NoHazardous: No
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Description
A potent, orally active leukotriene biosynthesis inhibitor that acts by inhibiting 5-lipoxygenase activating protein (FLAP) with IC50 of 1.6 nM in a FLAP binding assay.
CAS Number
147030-01-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
609.1531
Molecular Formula
C34H34ClN2NaO3S
Notes
Research use only, not for human use.
Receptor
FLAP

Chemical Information

Quiflapon Sodium

See also: Quiflapon (has active moiety).

CAS Number147030-01-1
PubChem CID23672584
IUPAC Namesodium 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoate
Molecular FormulaC34H34ClN2NaO3S
Molecular Weight609.2
Topological Polar Surface Area92.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count42
Formal Charge0
Complexity879
SMILES
CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)CC5=CC=C(C=C5)Cl)CC(C)(C)C(=O)[O-].[Na+]
InChI
InChI=1S/C34H35ClN2O3S.Na/c1-33(2,3)41-31-27-18-26(40-21-25-15-12-23-8-6-7-9-28(23)36-25)16-17-29(27)37(20-22-10-13-24(35)14-11-22)30(31)19-34(4,5)32(38)39;/h6-18H,19-21H2,1-5H3,(H,38,39);/q;+1/p-1
InChIKey
YPURUCMVRRNPHJ-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Quiflapon Sodium
CAS: 147030-01-1
CID: 23672584
Formula: C34H34ClN2NaO3S
MW: 609.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight609.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass608.1876361
Monoisotopic Mass608.1876361
Topological Polar Surface Area92.5 Ų
Heavy Atom Count42
Formal Charge0
Complexity879
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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MBS3602014-01MK-591
B2519-5MK-591 sodium salt
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BA7381-5DI-591
HY-P991360MLN 591
B5539-5VU 591 hydrochloride
MBS5777492L-797,591
451475-01GSK 591 Dihydrochloride
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sc-73410ADAR3 (3.591)

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