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GSK2263167

CAT: 0013-GTR19198090-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198090-02Size:50 mg
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Description
GSK2263167 is a selective sphingosine-1-phosphate receptor 1 (S1P1) agonist. This small molecule is a valuable research tool for investigating S1P1-mediated signaling pathways in immunology and inflammation, with applications in both in vitro cellular assays and in vivo disease model studies.
CAS Number
1165924-28-6
Field of Research
Pharmacology & Drug Discovery
Smiles
CC=1C (=CC=C2C1CCN (CCC (O) =O) C2) C=3N=C (ON3) C4=CC (C#N) =C (OC (C) C) C=C4
Molecular Formula
C25H26N4O4
Molecular Weight
446.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-[6-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-5-methyl-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid
CAS Number1165924-28-6
PubChem CID44125170
IUPAC Name3-[6-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-5-methyl-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid
Molecular FormulaC25H26N4O4
Molecular Weight446.5
XLogP1.4
Topological Polar Surface Area112
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity724
SMILES
CC1=C(C=CC2=C1CCN(C2)CCC(=O)O)C3=NOC(=N3)C4=CC(=C(C=C4)OC(C)C)C#N
InChI
InChI=1S/C25H26N4O4/c1-15(2)32-22-7-5-17(12-19(22)13-26)25-27-24(28-33-25)21-6-4-18-14-29(11-9-23(30)31)10-8-20(18)16(21)3/h4-7,12,15H,8-11,14H2,1-3H3,(H,30,31)
InChIKey
KYDLFNMKNFOMEK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[6-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-5-methyl-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid
CAS: 1165924-28-6
CID: 44125170
Formula: C25H26N4O4
MW: 446.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.5
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass446.19540532
Monoisotopic Mass446.19540532
Topological Polar Surface Area112 Ų
Heavy Atom Count33
Formal Charge0
Complexity724
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

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CatalogName
HY-120468GSK2263167

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