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Barbadin

CAT: 0013-GTR19244326-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19244326-01Size:100 mg
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Description
Barbadin is a novel and selective β-arrestin/β2-adaptin interaction inhibitor, has IC50 values of 19.1 μM for β-arrestin1 and 15.6 μM for β-arrestin2. Barbadin blocks agonist-promoted endocytosis of the prototypical β2-adrenergic, V2-vasopressin and angiotensin-II type-1 receptors. Barbadin can induce apoptosis.
CAS Number
356568-70-2
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 50 mg/mL (149.97 mM; Ultrasonic)
Smiles
Nn1cnc2scc (-c3ccc (Cc4ccccc4) cc3) c2c1=O
Molecular Formula
C19H15N3OS
Molecular Weight
333.41
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

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
Loading 3D structure...
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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