Products for Research Use Only

LUF 5834

CAT: 0013-GTR19201167-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201167-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
This small molecule acts as a partial agonist for both the A2A and A2B adenosine receptor subtypes. It is a valuable research tool for investigating adenosine signaling in fields like immunology, oncology, and cardiology, applicable in both in vitro assays and in vivo disease models.
CAS Number
333962-91-7
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
C (#N) C=1C (=C (C#N) C (N) =NC1SCC=2NC=CN2) C3=CC=C (O) C=C3
Molecular Formula
C17H12N6OS
Molecular Weight
348.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-amino-4-(4-hydroxyphenyl)-6-(1H-imidazol-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile

structure in first source

CAS Number333962-91-7
PubChem CID135543624
IUPAC Name2-amino-4-(4-hydroxyphenyl)-6-(1H-imidazol-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
Molecular FormulaC17H12N6OS
Molecular Weight348.4
XLogP2.3
Topological Polar Surface Area161
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity548
SMILES
C1=CC(=CC=C1C2=C(C(=NC(=C2C#N)SCC3=NC=CN3)N)C#N)O
InChI
InChI=1S/C17H12N6OS/c18-7-12-15(10-1-3-11(24)4-2-10)13(8-19)17(23-16(12)20)25-9-14-21-5-6-22-14/h1-6,24H,9H2,(H2,20,23)(H,21,22)
InChIKey
OFHKDLYFKPBXER-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-amino-4-(4-hydroxyphenyl)-6-(1H-imidazol-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
CAS: 333962-91-7
CID: 135543624
Formula: C17H12N6OS
MW: 348.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight348.4
XLogP32.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass348.07933020
Monoisotopic Mass348.07933020
Topological Polar Surface Area161 Ų
Heavy Atom Count25
Formal Charge0
Complexity548
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