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MEN91507

CAT: 0013-GTR19209977-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209977-02Size:50 mg
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Description
MEN91507 is a selective antagonist of the cysteinyl leukotriene receptor 1 (CysLT1R) . This small molecule inhibitor is a valuable research tool for investigating leukotriene-mediated pathways in asthma, allergy, and inflammation using both in vitro binding assays and in vivo disease models.
CAS Number
197506-04-0
Smiles
C (=C/C1=CC=C (OCCCCC2=CC=C (F) C=C2) C=C1) \C3=C4C (C (=O) C=C (O4) C=5NN=NN5) =CC=C3
Molecular Formula
C28H23FN4O3
Molecular Weight
482.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Men91507

structure in first source

CAS Number197506-04-0
PubChem CID10322977
IUPAC Name8-[(E)-2-[4-[4-(4-fluorophenyl)butoxy]phenyl]ethenyl]-2-(2H-tetrazol-5-yl)chromen-4-one
Molecular FormulaC28H23FN4O3
Molecular Weight482.5
XLogP5.8
Topological Polar Surface Area90
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count36
Formal Charge0
Complexity777
SMILES
C1=CC(=C2C(=C1)C(=O)C=C(O2)C3=NNN=N3)/C=C/C4=CC=C(C=C4)OCCCCC5=CC=C(C=C5)F
InChI
InChI=1S/C28H23FN4O3/c29-22-13-8-19(9-14-22)4-1-2-17-35-23-15-10-20(11-16-23)7-12-21-5-3-6-24-25(34)18-26(36-27(21)24)28-30-32-33-31-28/h3,5-16,18H,1-2,4,17H2,(H,30,31,32,33)/b12-7+
InChIKey
PYUGFOWNYMLROI-KPKJPENVSA-N
Chemical Structure
2D Structure
2D structure of Men91507
CAS: 197506-04-0
CID: 10322977
Formula: C28H23FN4O3
MW: 482.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight482.5
XLogP35.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass482.17541877
Monoisotopic Mass482.17541877
Topological Polar Surface Area90 Ų
Heavy Atom Count36
Formal Charge0
Complexity777
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T70023-01MEN91507

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