Edaglitazone

HCID 9825701

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基本情報

CAS: 213411-83-7
標準SMILES: Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2SC(=O)NC2=O)c2sccc12
InChIKey: HAAXAFNSRADSMK-UHFFFAOYSA-N
分子式: C24H20N2O4S2
平均分子量: 464.6 g/mol
単同位体質量: 464.08644947

名称と識別子

優先名称: Edaglitazone
IUPAC: 5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione
英語名: 5-((4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzo[b]thiophen-7-yl)methyl)thiazolidine-2,4-dione
分子式: C24H20N2O4S2
分子量: 464.5566

名称と別名

Edaglitazone213411-83-7Edaglitazona8GKF7V499BBM-131258R-4835-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dioneDTXSID008702405-({4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}methyl)-1,3-thiazolidine-2,4-dioneedaglitazonum5-((4-(2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy)-1-benzothiophen-7-yl)methyl)-1,3-thiazolidine-2,4-dioneRefChem:590569

名称をさらに表示

RO-2052349-602RO-2052349-0005-[[4-[2-(5-Methyl-2-phenyl-4-oxazolyl)ethoxy]benzo[b]thien-7-yl]methyl]-2,4-thiazolidinedione2,4-Thiazolidinedione, 5-[[4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]benzo[b]thien-7-yl]methyl]-

DTXCID908180155-((4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzo[b]thiophen-7-yl)methyl)thiazolidine-2,4-dioneEdaglitazone [INN]Edaglitazone, (+)-Edaglitazone, (-)-QP6GWW0LZD59LQZ96XUUBM 131258

データベース識別子

CAS: 213411-83-7、892128-35-7、892128-36-8
PubChem CID: 9825701
DTXSID: DTXSID00870240
ChEMBL: CHEMBL3990804
UNII: 59LQZ96XUU、8GKF7V499B、QP6GWW0LZD
Nikkaji: J1.244.260B

物性

構造計算による物性

XLogP: 5.5
極性表面積: 135 Å²
水素結合供与体数: 1
水素結合受容体数: 7
回転可能結合数: 7
重原子数: 32
形式電荷: 0
複雑度: 689

物理化学的性質

比重(密度): 1.374 · 1.374
貯蔵温度: -20 °C · Store at -20°C
溶解性: 30 mg/ml · DMSO: 30 mg/ml
外見: A crystalline solid
色: White to off-white

化学と産業

応用分野 · 2 件

説明Edaglitazone is an agonist of peroxisome proliferator-activated receptor γ (PPARγ). It activates PPARγ in a reporter assay using CV-1 cells expressing murine PPARγ2 when used at concentrations ranging from 0.1 to 1 μM. Edaglitazone (1, 5, and 25 μM) increases [3H]2-deoxyglucose transport in the presence and absence of insulin and increases glycogen synthesis in the presence of insulin in soleus muscle strips isolated from obese rats.

使用Treatment of Type 2 diabetes.