Apremilast

关键信息

CAS 号

608141-41-9

纯度

>98%

形式

Solid

form

分子量

460.5 Da

分子式

C₂₂H₂₄N₂O₇S

PubChem

11561674

属性

Synthetic

溶解度

DMSO (>80 mg/ml)

生化试剂名称

Apremilast

生物学描述

Ppotent PDE4 (phosphodiesterase 4) inhibitor (IC₅₀ = 74 nM). It reduces TNF-α production in human synovial cells and significantly suppresses experimental arthritis.

经典 SMILES

CCOC1=C(C=CC(=C1)C(CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC

同分异构的 SMILES

CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC

InChi

InChI=1S/C22H24N2O7S/c1-5-31-19-11-14(9-10-18(19)30-3)17(12-32(4,28)29)24-21(26)15-7-6-8-16(23-13(2)25)20(15)22(24)27/h6-11,17H,5,12H2,1-4H3,(H,23,25)/t17-/m1/s1

InChiKey

IMOZEMNVLZVGJZ-QGZVFWFLSA-N

IUPAC 名

N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide