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名称

DAA-1106

分子类型

小分子

英文别名

英文名称

DAA-1106

货号

D650009-5mg

包装规格

5mg

浓度

≥99%

储存温度

-20°C储存

运输条件

超低温冰袋运输

产品介绍

DAA1106 is a potent and selective ligand for peripheral benzodiazepine receptor (PBR), as a potent and selective agonist at the peripheral benzodiazepine receptor.Target:PBRin vitro: DAA1106 binding to PBR was significantly increased in widespread areas in MCI subjects when compared to healthy controls.DAA-1106 is a drug which acts as a potent and selective agonist at the peripheral benzodiazepine receptor, also known as the mitochondrial 18 kDa translocator protein or TSPO, but with no affinity at the GABAA receptor.in vivo: DAA-1106 has anxiolytic effects in animal studies. DAA-1106 has a sub-nanomolar binding affinity (Ki) of 0.28nM, and has been used extensively in its 3H or 11C radiolabelled form to map TSPO in the body and brain, which has proved especially helpful in monitoring the progress of neurodegenerative diseases such as Alzheimer's disease. Form:Solid

生化机理

DAA1106是外周苯并二氮杂卓受体（PBR）的强效选择性配体，是外周苯并二氮杂卓受体的强效选择性激动剂：DAA1106与苯并二氮杂卓受体（PBR）的结合在广泛的体外实验中明显增加。

CAS号

220551-92-8

分子式

C23H22FNO4

分子量

395.42 g/mol

PubChem编号

10430788

Isomeric SMILES

CC(=O)N(CC1=C(C=CC(=C1)OC)OC)C2=C(C=CC(=C2)F)OC3=CC=CC=C3

IIUPAC Name

N-[(2,5-dimethoxyphenyl)methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide

INCHI

1S/C23H22FNO4/c1-16(26)25(15-17-13-20(27-2)10-12-22(17)28-3)21-14-18(24)9-11-23(21)29-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3

InChi Key

DCRZYADKQRHHSF-UHFFFAOYSA-N

Smiles

CC(=O)N(CC1=C(C=CC(=C1)OC)OC)C2=C(C=CC(=C2)F)OC3=CC=CC=C3

PubChem CID

10430788

关联CAS

220551-92-8

MeSH Entry Terms

(11C)DAA1106;DAA 1106;DAA-1106;DAA1106;N-(2,5-dimethoxybenzyl)-N-(5-fluoro-2-isophenoxyphenyl)acetamide

溶解性

DMSO : 100 mg/mL (252.90 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

395.153 Da

单同位素质量Monoisotopic Mass

395.153 Da

拓扑极表面积Topological Polar Surface Area

48.000 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

513

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

4.3

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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