2-(2-アミノ-3-メトキシフェニル)クロモン
PD98059 · PD98059溶液 · 2-(2-アミノ-3-メトキシフェニル)クロモン · 2-(2-アミノ-3-メトキシフェニル)-4H-1-ベンゾピラン-4-オン · EZSOLUTION™ PD 98059 · 2-(2-アミノ-3-メトキシフェニル)-4H-クロメン-4-オン · PD-98059 · 2-(2-AMINO-3-METHOXYPHENYL)-4H-CHROMEN-4-ONE
識別子と物理属性
| CAS No. | 167869-21-8 |
|---|---|
| 分子式 | C16H13NO3 |
| 平均分子量 | 267.28 g/mol |
| 単同位体質量 | 267.08954328 g/mol |
| SMILES | COc1cccc(-c2cc(=O)c3ccccc3o2)c1N |
| InChIKey | QFWCYNPOPKQOKV-UHFFFAOYSA-N |
| PubChem CID | 4713 |
| ChEMBL | CHEMBL35482 |
| ChEBI | CHEBI:77954 |
| EC No. | 620-943-7 |
| DTXSID | DTXSID40168416 |
| 現地名 | 2-(2-アミノ-3-メトキシフェニル)クロモン |
化学・物理的性質
| XLogP | 2.9 |
|---|---|
| 極性表面積 | 61.6 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 4 |
| 回転可能結合数 | 2 |
| 重原子数 | 20 |
| 形式電荷 | 0 |
| 複雑度 | 407 |
| 融点 | 164~165℃ |
| 沸点 | 453.1±45.0 °C(Predicted) |
| 密度 | 1.300±0.06 g/cm3(Predicted) |
| 貯蔵条件 | -20°C |
| 溶解度 | エタノール：0.6mg/mL |
| pKa（酸解離定数） | 1.21±0.10(Predicted) |
| 外観・状態 | 個体 |
| 色 | 黄色 |
| 安定性 | -20°C の DMSO 溶液で最大 3 か月間保存できます。 |
| InChI | InChI=1S/C16H13NO3/c1-19-14-8-4-6-11(16(14)17)15-9-12(18)10-5-2-3-7-13(10)20-15/h2-9H,17H2,1H3 |
| InChIKey | QFWCYNPOPKQOKV-UHFFFAOYSA-N |
| SMILES | C1(C2=CC=CC(OC)=C2N)OC2=CC=CC=C2C(=O)C=1 |
| CAS データベース | 167869-21-8(CAS DataBase Reference) |
安全性と法規制
| GHS 分類 | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| 水環境危害等級（WGK） | 3 |
| 輸送番号（UN） | UN 2811 6.1/PG 3 |
| 税関コード | 29322090 |
| 危険文句（R） | 22 |
| 危険表示 | Xn |
| 安全措置（S） | 22-60-36 |
| 貯蔵分類 | 10 - Combustible liquids |
用途
説明
PD 98059 is a noncompetitive inhibitor of the MAPK pathway. It prevents the activation of MEK by Raf or MEK kinase (a MAP3K) with an IC50 value of 2-7 μM but does not inhibit Raf-activated MAP2K1. It inhibits Raf activation of MAP2K2 with an IC50 value of 50 μM. PD 98059 also phosphorylates and activates AMP-activated protein kinase (AMPK) in a dose-dependent manner (EC50 = 35 μM in HEK293 cells). It increases the ratios of ADP to ATP and AMP to ATP and increases phosphorylation of the AMPK target acetyl-CoA carboxylase (ACC).
使用
PD 98059 is a selective inhibitor of MEK and blocker of MAPK.
一般的な説明
Selective, reversible, and cell-permeable inhibitor of MAP kinase kinase (MEK) that acts by inhibiting the activation of MAP kinase and subsequent phosphorylation of MAP kinase substrates. Pretreatment of PC-12 cells with PD 98059 completely blocks the 4-fold increase in MAP kinase activity produced by nerve growth factor (NGF; IC50 = 2 μM); however, it has no effect on NGF-dependent tyrosine phosphorylation of the p140trk receptor or its substrate Shc and does not block NGF-dependent activation of PI 3-kinase. Blocks LPS-induced activation of TNF-α gene expression. Inhibits cell growth and reverses the phenotype of ras-transformed BALB3T3 mouse fibroblasts and rat kidney cells. A 5 mg/ml solution of PD 98059 (Cat. No. 513001) in anhydrous DMSO is also available.