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Gemilukast

CAT: 1410-M10920-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M10920-03Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Gemilukast (ONO-6950, ONO6950) is a potent, orally active, dual CysLT1 and CysLT2 antagonist with IC50 of 1.7 and 25 nM against human CysLT1 and human CysLT2, respectively.
CAS Number
1232861-58-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
601.69
Molecular Formula
C36H37F2NO5
Notes
Research use only, not for human use.
Receptor
Leukotriene Receptor

Chemical Information

Gemilukast

Gemilukast is a small molecule drug. The usage of the INN stem '-lukast' in the name indicates that Gemilukast is a leukotriene receptor antagonist. Gemilukast is under investigation in clinical trial NCT01536041 (A Placebo and Active Controlled Study of ONO-6950 in Asthmatic Patients). Gemilukast has a monoisotopic molecular weight of 601.26 Da.

CAS Number1232861-58-3
PubChem CID46830962
IUPAC Name4-[1-(3-carboxypropyl)-4-fluoro-7-[2-[4-[4-(3-fluoro-2-methylphenyl)butoxy]phenyl]ethynyl]-2-methylindol-3-yl]butanoic acid
Molecular FormulaC36H37F2NO5
Molecular Weight601.7
XLogP7.5
Topological Polar Surface Area88.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count16
Heavy Atom Count44
Formal Charge0
Complexity988
SMILES
CC1=C(C=CC=C1F)CCCCOC2=CC=C(C=C2)C#CC3=C4C(=C(C=C3)F)C(=C(N4CCCC(=O)O)C)CCCC(=O)O
InChI
InChI=1S/C36H37F2NO5/c1-24-27(9-5-11-31(24)37)8-3-4-23-44-29-19-15-26(16-20-29)14-17-28-18-21-32(38)35-30(10-6-12-33(40)41)25(2)39(36(28)35)22-7-13-34(42)43/h5,9,11,15-16,18-21H,3-4,6-8,10,12-13,22-23H2,1-2H3,(H,40,41)(H,42,43)
InChIKey
SILHYVDKGHXGBL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gemilukast
CAS: 1232861-58-3
CID: 46830962
Formula: C36H37F2NO5
MW: 601.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight601.7
XLogP37.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count16
Exact Mass601.26397960
Monoisotopic Mass601.26397960
Topological Polar Surface Area88.8 Ų
Heavy Atom Count44
Formal Charge0
Complexity988
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
BA5446-5Gemilukast
A21021-50Gemilukast 50mg
A21021-25Gemilukast 25mg
A21021-5Gemilukast 5mg
A21021-2Gemilukast 2mg
A21021-100Gemilukast 100mg
A21021-10Gemilukast 10mg
A21021-10mM-DGemilukast 10mM * 1mL in DMSO

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