Unecritinib
基本情報
- CAS
1418026-92-2- 標準SMILES
CC(=O)Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1O[C@H](C)c1c(Cl)ccc(F)c1Cl- InChIKey
HBWSXXBJOQKNBL-CYBMUJFWSA-N- 分子式
- C23H24Cl2FN5O2
- 平均分子量
- 492.4 g/mol
- 単同位体質量
- 491.1291086
概要
Unecritinib is an orally available, small molecule inhibitor of the receptor tyrosine kinases anaplastic lymphoma kinase (ALK), C-ros oncogene 1 (ROS1) and Met (hepatocyte growth factor receptor; HGFR; c-Met), with potential antineoplastic activity. Upon oral administration,unecritinib targets, binds to and inhibits the activity of ALK, ROS1 and c-Met, which leads to the disruption of ALK-, ROS1- and c-Met-mediated signaling and the inhibition of cell growth in ALK-, ROS1- and c-Met-expressing tumor cells. ALK, ROS1 and c-Met, overexpressed or mutated in many tumor cell types, play key roles in tumor cell proliferation, survival, invasion and metastasis.
名称と識別子
- 優先名称
- Unecritinib
- IUPAC
- N-[3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)-2-pyridinyl]acetamide
名称と別名
Unecritinib1418026-92-24T3Z98RR86TQ-B3101TQB3101N-[3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-yl]acetamideN-(3-((1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-yl)acetamideRefChem:1100652TQB 3101TQB-3101ALK/ROS1/Met Inhibitor TQ-B3101Unecritinib [INN]
名称をさらに表示
UNII-4T3Z98RR86N-[3-[(1R)-1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-5-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-2-pyridinyl]acetamide(R)-N-(3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridin-2-yl)acetamideAcetamide, N-(3-((1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1-(4-piperidinyl)-1H-pyrazol-4-yl)-2-pyridinyl)-N-(3-((1R)-1-(2,6-Dichloro-3-fluorophenyl)ethoxy)-5-(1- (piperidin-4-yl)-1H-pyrazol-4-yl)pyridin-2-yl)acetamideAcetamide, N-[3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-2-pyridinyl]-N-{3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1- (piperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-yl}acetamideUnecritinib [WHO-DD]
データベース識別子
- CAS
1418026-92-2- PubChem CID
- 71506874
- ChEMBL
CHEMBL5314968- UNII
- 4T3Z98RR86
物性
構造計算による物性
- XLogP
- 3.5
- 極性表面積
- 81.1 Ų
- 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
- 6
- 重原子数
- 33
- 形式電荷
- 0
- 複雑度
- 658
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