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名称

Barbadin

别名

摧毁它

英文别名

F0745-0322 | Z56800600 | Barbadin | F82313 | 3-amino-5-(4-benzylphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one | HY-119706 | DTXSID601165986 | 3-amino-5-(4-benzylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one | AKOS001031268 | MS-25030 | 3-Azanyl-5-[4-(phenylmethyl)

英文名称

Barbadin

货号

B647761-5mg

包装规格

5mg

浓度

≥98%

储存温度

-20°C储存

运输条件

超低温冰袋运输

产品介绍

Barbadin is a novel and selective β-arrestin/β2-adaptin interaction inhibitor, has IC 50 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-Vasotocin and angiotensin-II type-1 receptors. Barbadin can induce apoptosis In Vitro Barbadin (4 h) treatment reduces cell viability and induces apoptosis. Barbadin (2 h) treatment arrests breast cancer cells in G0/G1 phase. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Apoptosis AnalysisCell Line: MDA MB-231 cells Concentration: Incubation Time: 4 hours Result: Exhibited morphological characteristics of apoptosis including shrinkage, rounding and detachment, the percent of cell viability was reduced to 69.1% and apoptosis was developed in 29.9% of cells starved with EBSS (Earle’s balanced salt solution). Cell Cycle AnalysisCell Line: MDA MB-231 cells Concentration: Incubation Time: 2 hours Result: Arrested 63.7% of cells in G0/G1 phase. Form:Solid IC50& Target:IC50: 19.1 μM (β-arrestin1),15.6 μM (β-arrestin2)

生化机理

Barbadin 是一种新型的选择性 β-arrestin/β2-adaptin 相互作用抑制剂，对 β-arrestin1 和 β-arrestin2 的 IC 50 值分别为 19.1u2009μM 和 15.6u2009μM。Barbadin可阻断激动剂促进的β2-肾上腺素能、V2-血管紧张素原型的内吞作用。

CAS号

356568-70-2

分子式

C19H15N3OS

分子量

333.41 g/mol

PubChem编号

727640

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=C(C=C2)C3=CSC4=C3C(=O)N(C=N4)N

IIUPAC Name

3-amino-5-(4-benzylphenyl)thieno[2,3-d]pyrimidin-4-one

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

InChi Key

OCBXPCSXEQQADU-UHFFFAOYSA-N

Smiles

C1=CC=C(C=C1)CC2=CC=C(C=C2)C3=CSC4=C3C(=O)N(C=N4)N

PubChem CID

727640

溶解性

DMSO : 50 mg/mL (149.97 mM; Need ultrasonic)

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

333.094 Da

单同位素质量Monoisotopic Mass

333.094 Da

拓扑极表面积Topological Polar Surface Area

86.900 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

483

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

3.7

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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