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Piperulin A

CAT: 0931-T79950-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T79950-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
164268-04-6
Target
Others, PAFR
Related Pathways
Others, GPCR/G Protein
Bioactivity
Piperulin A effectively inhibits platelet-activating factor receptor (PAFR) by specifically blocking its binding to isolated rabbit platelet plasma membranes, exhibiting an inhibitory concentration 50 (IC50) value of 7.3 μM [1].
Smiles
O(C)[C@@]12C(OC(C)=O)[C@@]([C@H]([C@@H]1C)C3=CC(OC)=C(OC)C=C3)(C(=O)C(CC=C)=C2)[H]
Molecular Formula
C23H28O6
Molecular Weight
400.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

[(1S,5R,6S,7S)-6-(3,4-dimethoxyphenyl)-1-methoxy-7-methyl-4-oxo-3-prop-2-enyl-8-bicyclo[3.2.1]oct-2-enyl] acetate
CAS Number164268-04-6
PubChem CID171935438
IUPAC Name[(1S,5R,6S,7S)-6-(3,4-dimethoxyphenyl)-1-methoxy-7-methyl-4-oxo-3-prop-2-enyl-8-bicyclo[3.2.1]oct-2-enyl] acetate
Molecular FormulaC23H28O6
Molecular Weight400.5
XLogP3.1
Topological Polar Surface Area71.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity685
SMILES
C[C@H]1[C@@H]([C@@H]2C([C@]1(C=C(C2=O)CC=C)OC)OC(=O)C)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C23H28O6/c1-7-8-16-12-23(28-6)13(2)19(20(21(16)25)22(23)29-14(3)24)15-9-10-17(26-4)18(11-15)27-5/h7,9-13,19-20,22H,1,8H2,2-6H3/t13-,19+,20-,22?,23+/m0/s1
InChIKey
TVDQUJSTRADHSU-GSDBWHIJSA-N
Chemical Structure
2D Structure
2D structure of [(1S,5R,6S,7S)-6-(3,4-dimethoxyphenyl)-1-methoxy-7-methyl-4-oxo-3-prop-2-enyl-8-bicyclo[3.2.1]oct-2-enyl] acetate
CAS: 164268-04-6
CID: 171935438
Formula: C23H28O6
MW: 400.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight400.5
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass400.18858861
Monoisotopic Mass400.18858861
Topological Polar Surface Area71.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity685
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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