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Product details

名称

DSP-1053

分子类型

小分子

英文名称

DSP-1053

货号

D647621-5mg

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

DSP-1053, a benzylpiperidine derivative, is a potent Serotonin Transporter (SERT) inhibitor with a K i of 1.02 nM. DSP-1053 shows partial 5-HT 1A receptor agonistic activity with a K i of 5.05 nM. DSP-1053 has antidepressant activity Form:Solid IC50& Target:5-HT 1A Receptor 5.05 nM (Ki)

生化机理

DSP-1053是一种苄基哌啶衍生物，是一种强效xa0羟色胺转运体（SERT）抑制剂，K i为1.02 nM。DSP-1053 具有部分 xa05-HT 1A 受体激动活性，K i 为 5.05 nM。DSP-1053 具有抗抑郁活性。

CAS号

1176326-76-3

分子式

C26H32BrNO4

分子量

502.44 g/mol

PubChem编号

44182694

Isomeric SMILES

COCCOC1=C(C=CC(=C1)CC2CCN(CC2)CCC3=CC4=C(C=C3)OCCC4=O)Br

IIUPAC Name

6-[2-[4-[[4-bromo-3-(2-methoxyethoxy)phenyl]methyl]piperidin-1-yl]ethyl]-2,3-dihydrochromen-4-one

INCHI

1S/C26H32BrNO4/c1-30-14-15-32-26-18-21(2-4-23(26)27)16-20-7-11-28(12-8-20)10-6-19-3-5-25-22(17-19)24(29)9-13-31-25/h2-5,17-18,20H,6-16H2,1H3

InChi Key

ZSVLGHSNQJYODD-UHFFFAOYSA-N

Smiles

COCCOC1=C(C=CC(=C1)CC2CCN(CC2)CCC3=CC4=C(C=C3)OCCC4=O)Br

PubChem CID

44182694

溶解性

DMSO : 100 mg/mL (199.03 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

501.151 Da

单同位素质量Monoisotopic Mass

501.151 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

582.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

4.900

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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