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

Ki-20227

HCID 9869779

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 623142-96-1
標準SMILES: COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
InChIKey: SHPFDGWALWEPGS-UHFFFAOYSA-N
分子式: C24H24N4O5S
平均分子量: 480.5 g/mol
単同位体質量: 480.14674105

名称と識別子

優先名称: Ki-20227
IUPAC: 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea
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
英語名: N-[4-[(6,7-Dimethoxy-4-quinolinyl)oxy]-2-methoxyphenyl]-N'-[1-(2-thiazolyl)ethyl]urea
分子式: C24H24N4O5S
分子量: 480.54

名称と別名

Ki20227623142-96-1Ki-20227Ki 20227T4W68CAT3P1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-[1-(1,3-thiazol-2-yl)ethyl]ureaDTXSID804321081-(4-(6,7-Dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl)-3-(1-(1,3-thiazol-2-yl)ethyl)urea1-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-2-methoxyphenyl}-3-[1-(1,3-thiazol-2-yl)ethyl]urea1-(4-((6,7-dimethoxyquinolin-4-yl)oxy)-2-methoxyphenyl)-3-(1-(1,3-thiazol-2-yl)ethyl)ureaRefChem:151217DTXCID20837658

名称をさらに表示

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CS-1094Ki20227 ，S7688Ki20227, 10 mM in DMSOUrea, N-[4-[(6,7-diMethoxy-4-quinolinyl)oxy]-2-Methoxyphenyl]-N'-[1-(2-thiazolyl)ethyl]-

KI-20227, (A+-)-1-(4-((6,7-dimethoxyquinolin-4-yl)oxy)-2-methoxyphenyl)-3-(1-(thiazol-2-yl)ethyl)ureaN-[4-[(6,7-DIMETHOXY-4-QUINOLINYL)OXY]-2-METHOXYPHENYL]-N'-[1-(2-THIAZOLYL)ETHYL]UREACHEMBL1908396KI-20227, (+/-)-N-(4-((6,7-Dimethoxy-4-quinolinyl)oxy)-2-methoxyphenyl)-N'-(1-(2-thiazolyl)ethyl)ureaUrea, N-(4-((6,7-dimethoxy-4-quinolinyl)oxy)-2-methoxyphenyl)-N'-(1-(2-thiazolyl)ethyl)-C24H24N4O5S

データベース識別子

CAS: 623142-96-1
PubChem CID: 9869779
DTXSID: DTXSID80432108
ChEMBL: CHEMBL1908396
UNII: T4W68CAT3P
Nikkaji: J2.851.477H

物性

構造計算による物性

XLogP: 3.6
極性表面積: 132 Å²
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

物理化学的性質

沸点: 621.8 · 621.8±55.0 °C(Predicted)
比重(密度): 1.327 · 1.327
貯蔵温度: -20 °C · Sealed in dry,Store in freezer, under -20°C
溶解性: 48.1 mg/mL · ≥48.1 mg/mL in DMSO; insoluble in H2O; ≥8.6 mg/mL in EtOH with gentle warming and ultrasonic
外見: 茶色の粉末。
酸解離定数(Pka): 12.03 · 12.03±0.46(Predicted)
色: Off-white to pink

化学と産業

応用分野 · 2 件

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.

サプライヤー80 社

苏州道澜生物医药科技有限公司15952404857 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

武汉灵灵九生物科技有限公司15623309010

湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]

化合物ノート

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