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基本情報
- CAS
101574-65-6- 標準SMILES
CC(C)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1- InChIKey
IKPPIUNQWSRCOZ-WOJGMQOQSA-N- 分子式
- C17H18N2O2
- 平均分子量
- 282.343 g/mol
- 単同位体質量
- 282.13682782
名称と識別子
- 優先名称
- GSK 4716
- IUPAC
- 4-Hydroxy-N'-{(E)-[4-(propan-2-yl)phenyl]methylidene}benzohydrazide
- 現地名
- N′-(4-イソプロピルベンジリデン)-4-ヒドロキシベンズヒドラジド
- 英語名
- 4-Hydroxy-2-[(1E)-[4-(1-methylethyl)phenyl]methylene]hydrazide
- 分子式
- C17H18N2O2
- 分子量
- 282.34
名称と別名
N′-(4-イソプロピルベンジリデン)-4-ヒドロキシベンズヒドラジド4-ヒドロキシ-N'-{[4-(プロパン-2-イル)フェニル]メチリデン}ベンゾヒドラジドN′-(4-イソプロピルベンジリデン)-4-ヒドロキシ安息香酸ヒドラジドCS-1084GSK-4716, 10 mM in DMSOGSK 4716, ERRbetagamma agonist4-hydroxy-N'-(4-isopropylbenzylidene)benzohydrazide(E)-4-hydroxy-N'-(4-isopropylbenzylidene)benzohydrazide4-hydroxy-N'-(4-isopropylphenyl‐ methylidene)-benzohydrazide4-Hydroxy-2-[(1E)-[4-(1-methylethyl)phenyl]methylene]hydrazide2-[[4-(1-Methylethyl)phenyl]methylene]hydrazide 4-hydroxybenzoic acid4-Hydroxybenzoic acid 2-[[4-(1-methylethyl)phenyl]methylene]hydrazide
名称をさらに表示
Benzoic acid, 4-hydroxy-, 2-[[4-(1-methylethyl)phenyl]methylene]hydrazide
データベース識別子
- CAS
101574-65-6- PubChem CID
- 5331325
- DTXSID
DTXSID40416242- ChEMBL
CHEMBL193836- ChEBI
CHEBI:80000- Nikkaji
- J2.404.851I
物性
物理化学的性質
- 比重(密度)
- 1.12 · 1.12
- 貯蔵温度
- 2 · Inert atmosphere,2-8°C
- 溶解性
- 10 mg/mL · DMSO：>10mg/mL
- 外見
- 粉
- 酸解離定数(Pka)
- 8.48 · 8.48±0.15(Predicted)
- 色
- ホワイトからオフホワイト
- InChI
- 1S/C17H18N2O2/c1-12(2)14-5-3-13(4-6-14)11-18-19-17(21)15-7-9-16(20)10-8-15/h3-12,20H,1-2H3,(H,19,21)/b18-11+
- InChIKey
- IKPPIUNQWSRCOZ-WOJGMQOQSA-N
- SMILES
- CC(C)c1ccc(cc1)\C=N\NC(=O)c2ccc(O)cc2
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
安全データ
- wgk
- 3
- ridadr
- UN 3077 9 / PGIII
- risk_code
- 43-50/53
- hazard_code
- Xi,N
- safety_code
- 36/37-60-61
- hazard_class
- 9
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Skin Sens. 1
- ストレージクラス
- 11 - Combustible Solids
化学と産業
応用分野
説明The estrogen-related receptors (ERRs) are orphan nuclear receptors with homology to the estrogen receptor family and are expressed in tissues with high metabolic demand. Binding of peroxisome proliferator-activated receptor γ-coactivator 1α (PGC-1α) to this class of receptors is known to potentiate ERR activity. GSK4716 is an ERRβ/γ agonist (IC50 = 2 μM) that can activate the receptor with similar potency as the protein ligand, PGC-1α. It is more than 50-fold selective for binding to ERRβ/γ compared with the estrogen receptors. This compound has been used to demonstrate the contribution of ERR receptor activity to the regulation of mitochondrial activity in skeletal muscle during exercise.
使用The estrogen-related receptors (ERRs) are orphan nuclear receptors with homology to the estrogen receptor family and are expressed in tissues with high metabolic demand. Binding of peroxisome proliferator-activated receptor γ-coactivator 1α (PGC-1α) to this class of receptors is known to potentiate ERR activity. GSK4716 is an ERRβ/γ agonist (IC50 = 2 μM) that can activate the receptor with similar potency as the protein ligand, PGC-1α. It is more than 50-fold selective for binding to ERRβ/γ compared with the estrogen receptors. This compound has been used to demonstrate the contribution of ERR receptor activity to the regulation of mitochondrial activity in skeletal muscle during exercise.[Cayman Chemical]
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