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Neladenoson

CAT: 0931-T207262-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T207262-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1239234-36-6
Target
Adenosine Receptor
Related Pathways
Neuroscience, GPCR/G Protein
Bioactivity
Neladenoson is an effective and selective agonist of the Adenosine A1 Receptor (A1R) . EGFR-IN-162 shows potential for research in heart failure.
Smiles
N#CC1=C(N=C(C(C#N)=C1C=2C=CC(OCCO)=CC2)N3CCCC3)SCC=4N=C(SC4)C=5C=CC(Cl)=CC5
Molecular Formula
C29H24ClN5O2S2
Molecular Weight
574.12
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Neladenoson
CAS Number1239234-36-6
PubChem CID46847262
IUPAC Name2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile
Molecular FormulaC29H24ClN5O2S2
Molecular Weight574.1
XLogP5.8
Topological Polar Surface Area160
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count39
Formal Charge0
Complexity875
SMILES
C1CCN(C1)C2=NC(=C(C(=C2C#N)C3=CC=C(C=C3)OCCO)C#N)SCC4=CSC(=N4)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C29H24ClN5O2S2/c30-21-7-3-20(4-8-21)28-33-22(17-38-28)18-39-29-25(16-32)26(19-5-9-23(10-6-19)37-14-13-36)24(15-31)27(34-29)35-11-1-2-12-35/h3-10,17,36H,1-2,11-14,18H2
InChIKey
RFJKJKQQWXKVTD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Neladenoson
CAS: 1239234-36-6
CID: 46847262
Formula: C29H24ClN5O2S2
MW: 574.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight574.1
XLogP35.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass573.1059951
Monoisotopic Mass573.1059951
Topological Polar Surface Area160 Ų
Heavy Atom Count39
Formal Charge0
Complexity875
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
HY-165578-01Neladenoson
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MBS3600960-01Neladenoson dalanate hydrochloride
HY-115494Neladenoson dalanate (hydrochloride)
MBS5774278Neladenoson dalanate HCl

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