1-[4-[(6,7-ジメトキシ-4-キノリニル)オキシ]-2-メトキシフェニル]-3-[1-(2-チアゾリル)エチル]尿素
1-[4-[(6,7-ジメトキシ-4-キノリニル)オキシ]-2-メトキシフェニル]-3-[1-(2-チアゾリル)エチル]尿素 · 1-{4-[(6,7-ジメトキシキノリン-4-イル)オキシ]-2-メトキシフェニル}-3-[1-(1,3-チアゾール-2-イル)エチル]尿素 · Ki20227 · CS-1094 · Ki20227 ，S7688 · KI 20227 · Ki20227, 10 mM in DMSO · KI-20227
![1-[4-[(6,7-ジメトキシ-4-キノリニル)オキシ]-2-メトキシフェニル]-3-[1-(2-チアゾリル)エチル]尿素 の分子構造式](/img/chemical/9869779.png)
識別子と物理属性
| CAS No. | 623142-96-1 |
|---|---|
| 分子式 | C24H24N4O5S |
| 平均分子量 | 480.5 g/mol |
| 単同位体質量 | 480.14674105 g/mol |
| SMILES | COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1 |
| InChIKey | SHPFDGWALWEPGS-UHFFFAOYSA-N |
| PubChem CID | 9869779 |
| ChEMBL | CHEMBL1908396 |
| DTXSID | DTXSID80432108 |
| 現地名 | 1-[4-[(6,7-ジメトキシ-4-キノリニル)オキシ]-2-メトキシフェニル]-3-[1-(2-チアゾリル)エチル]尿素 |
化学・物理的性質
| XLogP | 3.6 |
|---|---|
| 極性表面積 | 132 |
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 8 |
| 回転可能結合数 | 8 |
| 重原子数 | 34 |
| 形式電荷 | 0 |
| 複雑度 | 661 |
| 沸点 | 621.8±55.0 °C(Predicted) |
| 密度 | 1.327 |
| 貯蔵条件 | Sealed in dry,Store in freezer, under -20°C |
| 溶解度 | ≥48.1 mg/mL in DMSOinsoluble in H2O≥8.6 mg/mL in EtOH with gentle warming and ultrasonic |
| 外観・状態 | 茶色の粉末。 |
| pKa（酸解離定数） | 12.03±0.46(Predicted) |
| 色 | Off-white to pink |
用途
説明
Ki20227 is an inhibitor of macrophage colony stimulating factor 1 (CSF1) receptor tyrosine kinase (c-Fms; IC50 = 2 nM). It inhibits CSF1-dependent c-Fms phosphorylation in a dose-dependent manner in RAW264.7 cells and reduces CSF1-dependent growth of M-NFS-60 cells (IC50 = 14 nM). Ki20227 suppresses development of TRAP-positive osteoclast-like cells from murine bone marrow (IC50 = 40 nM) and decreases the number and area of osteolytic lesions on femurs and tibiae in a murine A375 subcutaneous xenograft model. Ki20227 also reduces TNF-α infiltration and osteolytic bone destruction in a collagen-induced arthritis (CIA) mouse model.
使用
Ki 20227 is a c-fms tyrosine kinase inhibitor, which suppresses osteoclast differentiation and osteolytic bone destruction in a bone metastasis model.