Efatutazone Dihydrochloride
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基本情報
- CAS
223132-38-5- 標準SMILES
Cc1cc(Oc2ccc3nc(COc4ccc(CC5SC(=O)NC5=O)cc4)n(C)c3c2)cc(C)c1N.Cl.Cl- InChIKey
WFIOHOJEIMQCEG-UHFFFAOYSA-N- 分子式
- C27H28Cl2N4O4S
- 平均分子量
- 575.5 g/mol
概要
Efatutazone Dihydrochloride is the dihydrochloride salt of efatutazone, an orally bioavailable agonist of peroxisome proliferator-activated receptor gamma (PPAR-gamma) with potential antineoplastic activity. Efatutazone binds to and activates PPAR-gamma, a nuclear hormone receptor and a ligand-activated transcription factor controling gene expression involved in macromolecule metabolism and cell differentiation, specifically adipocyte differentiation. Mediated through activation of PPAR-gamma, this agent is capable of inducing cell differentiation and apoptosis, thereby leading to a reduction in cellular proliferation.
名称と識別子
- 優先名称
- Efatutazone Dihydrochloride
- IUPAC
- 5-[[4-[[6-(4-amino-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;dihydrochloride
- 英語名
- CS 7017
- 分子式
- C27H28Cl2N4O4S
- 分子量
- 575.50662
名称と別名
Inolitazone dihydrochlorideEfatutazone hydrochlorideefatutazone dihydrochlorideCS-7017RS544476B44WEA8ORefChem:920845223132-38-5Inolitazone (dihydrochloride)CS 7017UNII-76B44WEA8OCS7017
名称をさらに表示
RS5444 dihydrochlorideCS-7017 dihydrochlorideInolitazone (CS-7017) 2HClInolitazone (CS-7017) dihydrochlorideEFATUTAZONERS 54445-[[4-[[6-(4-amino-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione5-[[4-[[6-(4-Amino-3,5-dimethylphenoxy)-1-methyl-1H-benzimidazol-2-yl]methoxy]phenyl]methyl]-2,4-thiazolidinedione dihydrochloride
RS-54442,4-Thiazolidinedione, 5-((4-((6-(4-amino-3,5-dimethylphenoxy)-1-methyl-1H-benzimidazol-2-yl)methoxy)phenyl)methyl)-, dihydrochloride5-[[4-[[6-(4-amino-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;dihydrochlorideEfatutazone (dihydrochloride);CS-7017 (dihydrochloride);RS5444 (dihydrochloride)MFCD131947725-[4-[6-(4-amino-3,5-dimethylphenoxy)-1-methyl-1H-benzimidazol-2-ylmethoxy]benzyl]thiazolidine-2,4-dione dihydrochloride5-{4-[6-(4-amino-3,5-dimethylphenoxy)-1-methyl-1H-benzimidazol-2-ylmethoxy]benzyl}thiazolidine-2,4-dione dihydrochlorideC27H28Cl2N4O4S
物性
構造計算による物性補完中
- 極性表面積
- 134 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 7
- 回転可能結合数
- 7
- 重原子数
- 38
- 形式電荷
- 0
- 複雑度
- 782
物理化学的性質
- 貯蔵温度
- -20 °C · Store at -20°C
- 溶解性
- 25 mg/mL · DMSO : 25 mg/mL (43.44 mM; Need ultrasonic)H2O : < 0.1 mg/mL (insoluble)
- 外見
- Powder
- 色
- Pale purple to purple
化学と産業
薬理情報
MeSH Pharmacological ClassificationSubstances that inhibit or prevent the proliferation of NEOPLASMS.
関連反応
7 件
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