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PD 81723

CAT: 0013-GTR19201019-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201019-02Size:5 mg
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Description
This small molecule acts as an allosteric enhancer at the adenosine A1 receptor (ADORA1) . It is a valuable research tool for investigating receptor modulation in neurological and cardiovascular studies, applicable in both in vitro binding assays and in vivo models of pain and neuroprotection.
CAS Number
132861-87-1
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
99.97% (May vary between batches)
Smiles
O=C (C1=CC=CC (=C1) C (F) (F) F) C2=C (SC (=C2C) C) N
Molecular Formula
C14H12F3NOS
Molecular Weight
299.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PD 81723

adenosine binding enhancer; structure given in first source

CAS Number132861-87-1
PubChem CID122028
IUPAC Name(2-amino-4,5-dimethylthiophen-3-yl)-[3-(trifluoromethyl)phenyl]methanone
Molecular FormulaC14H12F3NOS
Molecular Weight299.31
XLogP4.8
Topological Polar Surface Area71.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity374
SMILES
CC1=C(SC(=C1C(=O)C2=CC(=CC=C2)C(F)(F)F)N)C
InChI
InChI=1S/C14H12F3NOS/c1-7-8(2)20-13(18)11(7)12(19)9-4-3-5-10(6-9)14(15,16)17/h3-6H,18H2,1-2H3
InChIKey
KKDKAWKYGCUOGR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PD 81723
CAS: 132861-87-1
CID: 122028
Formula: C14H12F3NOS
MW: 299.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight299.31
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass299.05916967
Monoisotopic Mass299.05916967
Topological Polar Surface Area71.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity374
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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