JTE907
JTE907 · N-(1,3-ベンゾジオキソール-5-イルメチル)-2-オキソ-7-メトキシ-8-ペントキシ-1,2-ジヒドロ-3-キノリンカルボアミド · N-[(2H-1,3-ベンゾジオキソール-5-イル)メチル]-7-メトキシ-2-オキソ-8-(ペンチルオキシ)-1,2-ジヒドロキノリン-3-カルボキサミド · JTE 907 · JTE907 (JTE-907 · JTE-907, 10 mM in DMSO · N-(benzo[d][1,3]dioxol-5-ylMethyl)-7-Methoxy-2-oxo-8-(pentyl · N-(Benzo[d][1,3]dioxol-5-ylmethyl)-2-hydroxy-7-methoxy-8-(pentyloxy)quinoline-3-carboxamide
識別子と物理属性
| CAS No. | 282089-49-0 |
|---|---|
| 分子式 | C24H26N2O6 |
| 平均分子量 | 438.5 g/mol |
| 単同位体質量 | 438.17908655 g/mol |
| SMILES | CCCCCOc1c(OC)ccc2cc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)[nH]c12 |
| InChIKey | GRAJFFFXJYFVOC-UHFFFAOYSA-N |
| PubChem CID | 9867770 |
| ChEMBL | CHEMBL178372 |
| ChEBI | CHEBI:93098 |
| EC No. | 683-684-9 |
| DTXSID | DTXSID001010010 |
| 現地名 | JTE907 |
化学・物理的性質
| XLogP | 4.4 |
|---|---|
| 極性表面積 | 95.1 |
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 6 |
| 回転可能結合数 | 9 |
| 重原子数 | 32 |
| 形式電荷 | 0 |
| 複雑度 | 698 |
| 沸点 | 704.2±60.0 °C(Predicted) |
| 密度 | 1.267±0.06 g/cm3(Predicted) |
| 貯蔵条件 | 2-8°C |
| 溶解度 | DMSO：10mg/mL以上 |
| pKa（酸解離定数） | 9.49±0.70(Predicted) |
| 外観・状態 | Powder |
| 色 | ホワイトからオフホワイト |
| InChIKey | GRAJFFFXJYFVOC-UHFFFAOYSA-N |
安全性と法規制
| GHS 分類 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| 水環境危害等級（WGK） | 3 |
| RTECS 番号 | VB1150900 |
| 危険文句（R） | 22 |
| 危険表示 | Xn |
| 危険等級 | Acute Tox. 4 Oral |
| 貯蔵分類 | 11 - Combustible Solids |
用途
説明
JTE-907 is a selective peripheral cannabinoid (CB2) receptor agonist with Kd values of 25 and 2,370, 1.55 and 1,060, and 0.38 and 1,050 nM for human, mouse, and rat CB2 and CB1 receptors, respectively. It increases forskolin-stimulated cAMP production in CHO cells expressing human and mouse CB2 in a dose-dependent manner. In vivo, JTE-907 inhibits carrageenin-induced edema in mouse paws with an ED50 value of 0.05 mg/kg. JTE-907 also inhibits spontaneous scratching in a mouse model of chronic dermatitis at doses of 1 and 10 mg/kg.
使用
Potent and selective ligands for cannabinoid type 2 receptors (CB2Rs) may have therapeutic potential for treating CB2Rs related inflammatory diseases (1). JTE 907 is a selective cannabinoid CB2 receptor inverse agonist with anti-inflammatory properties (2,3). Synthetic cannabinoids