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Barbadin

CAT: 1568-C14700-25mgSize: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C14700-25mgSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
356568-70-2
Target
Apoptosis
Applications
0
Smiles
O=C1C (C (C2=CC=C (CC3=CC=CC=C3) C=C2) =CS4) =C4N=CN1N
Molecular Formula
C19H15N3OS
Additionnal Information
Barbadin is a selective β-arrestin/β2-adaptin interaction inhibitor with IC50 values of 19.1 μM (β-arrestin1) and 15.6 μM (β-arrestin2) . It inhibits agonist-induced endocytosis of β2-adrenergic, V2-vasopressin, and angiotensin-II type-1 receptors. Additionally, Barbadin exhibits pro-apoptotic activity.

Chemical Information

3-Amino-5-(4-benzylphenyl)thieno(2,3-d)pyrimidin-4(3H)-one
CAS Number356568-70-2
PubChem CID727640
IUPAC Name3-amino-5-(4-benzylphenyl)thieno[2,3-d]pyrimidin-4-one
Molecular FormulaC19H15N3OS
Molecular Weight333.4
XLogP3.7
Topological Polar Surface Area86.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity483
SMILES
C1=CC=C(C=C1)CC2=CC=C(C=C2)C3=CSC4=C3C(=O)N(C=N4)N
InChI
InChI=1S/C19H15N3OS/c20-22-12-21-18-17(19(22)23)16(11-24-18)15-8-6-14(7-9-15)10-13-4-2-1-3-5-13/h1-9,11-12H,10,20H2
InChIKey
OCBXPCSXEQQADU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Amino-5-(4-benzylphenyl)thieno(2,3-d)pyrimidin-4(3H)-one
CAS: 356568-70-2
CID: 727640
Formula: C19H15N3OS
MW: 333.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight333.4
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass333.09358328
Monoisotopic Mass333.09358328
Topological Polar Surface Area86.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity483
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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