Ki-20227
Ki20227 · CS-1094 · Ki20227 ，S7688 · KI 20227 · Ki20227, 10 mM in DMSO · KI-20227 · N-[4-[(6,7-Dimethoxy-4-quinolinyl)oxy]-2-methoxyphenyl]-N'-[1-(2-thiazolyl)ethyl]urea · 1-(4-((6,7-Dimethoxyquinolin-4-yl)oxy)-2-methoxyphenyl)-3-(1-(thiazol-2-yl)ethyl)urea
식별자 및 물리적 특성
| CAS No. | 623142-96-1 |
|---|---|
| 분자식 | C24H24N4O5S |
| 평균 분자량 | 480.5 g/mol |
| 단동위원소 질량 | 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 |
화학 및 물리적 성질
| XLogP | 3.6 |
|---|---|
| 극성 표면적 | 132 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 8 |
| 회전 가능 결합 수 | 8 |
| 무거운 원자 수 | 34 |
| 형식 전하 | 0 |
| 복잡도 | 661 |
| 끓는 점 | 621.8±55.0 °C(Predicted) |
| 밀도 | 1.327 |
| 저장 조건 | Sealed in dry,Store in freezer, under -20°C |
| 용해도 | ≥48.1 mg/mL in DMSOinsoluble in H2O≥8.6 mg/mL in EtOH with gentle warming and ultrasonic |
| 물리적 상태 | 갈색 가루. |
| pKa(산도 계수) | 12.03±0.46(Predicted) |
| 색상 | Off-white to pink |
용도
개요
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.
용도
Ki 20227 is a c-fms tyrosine kinase inhibitor, which suppresses osteoclast differentiation and osteolytic bone destruction in a bone metastasis model.