Jte-907
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 · N-(1,3-BENZODIOXOL-5-YLMETHYL)-1,2-DIHYDRO-7-METHOXY-2-OXO-8-(PENTYLOXY)-3-QUINOLINECARBOXAMIDE · 3-QuinolinecarboxaMide,N-(1,3-benzodioxol-5-ylMethyl)-1,2-dihydro-7-Methoxy-2-oxo-8-(pentyloxy)- · N-(benzo[d][1,3]dioxol-5-ylmethyl)-7-methoxy-2-oxo-8-(pentyloxy)-1,2-dihydroquinoline-3-carboxamide
식별자 및 물리적 특성
| CAS No. | 282089-49-0 |
|---|---|
| 분자식 | C24H26N2O6 |
| 평균 분자량 | 438.5 g/mol |
| 단동위원소 질량 | 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 |
화학 및 물리적 성질
| XLogP | 4.4 |
|---|---|
| 극성 표면적 | 95.1 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 6 |
| 회전 가능 결합 수 | 9 |
| 무거운 원자 수 | 32 |
| 형식 전하 | 0 |
| 복잡도 | 698 |
| 끓는 점 | 704.2±60.0 °C(Predicted) |
| 밀도 | 1.267±0.06 g/cm3(Predicted) |
| 저장 조건 | 2-8°C |
| 용해도 | DMSO: ≥10mg/mL |
| pKa(산도 계수) | 9.49±0.70(Predicted) |
| 물리적 상태 | 가루 |
| 색상 | 흰색에서 황백색까지 |
| InChIKey | GRAJFFFXJYFVOC-UHFFFAOYSA-N |
안전 및 규제
| GHS 분류 | 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%) |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | VB1150900 |
| 위험 문구(R) | 22 |
| 위험 표시 | Xn |
| 위험 등급 | Acute Tox. 4 Oral |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
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.
용도
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