Ly-2880070
基本情報
- CAS
1375637-35-6- 標準SMILES
COc1nc(C)ccc1-c1cc(Nc2cncc(O[C@@H]3CCCNC3)n2)n[nH]1- InChIKey
LAEFIEWPUJMANC-CYBMUJFWSA-N- 分子式
- C19H23N7O2
- 平均分子量
- 381.4 g/mol
- 単同位体質量
- 381.191323
概要
Chk1 Inhibitor LY2880070 is an orally bioavailable, selective, adenosine triphosphate (ATP)-competitive inhibitor of checkpoint kinase 1 (chk1), with potential antineoplastic and chemosensitization activities. Upon oral administration, chk1 inhibitor LY2880070 selectively binds to chk1, thereby preventing chk1 activity and abrogating the repair of damaged DNA. This may lead to an accumulation of damaged DNA, inhibition of cell cycle arrest, and induction of apoptosis. LY2880070 may potentiate the cytotoxicity of DNA-damaging agents and reverse tumor cell resistance to chemotherapeutic agents. Chk1, an ATP-dependent serine/threonine kinase overexpressed in a variety of cancer cell types, mediates cell cycle checkpoint control and is essential for DNA repair; it plays a key role in resistance to chemotherapeutic agents by repairing DNA damage.
名称と識別子
- 優先名称
- Ly-2880070
- IUPAC
- N-[5-(2-methoxy-6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-6-[(3R)-piperidin-3-yl]oxypyrazin-2-amine
- 英語名
- (R)-N-(3-(2-methoxy-6-methylpyridin-3-yl)-1H-pyrazol-5-yl)-6-(piperidin-3-yloxy)pyrazin-2-amine
- 分子式
- C19H23N7O2
- 分子量
- 381.43
名称と別名
LY2880070LY-2880070N-(5-(2-Methoxy-6-methyl-3-pyridyl)1H-pyrazol-3-yl)-6-(((3R)-3-piperidyl)oxy)-2-pyrazinamine2-Pyrazinamine, N-(5-(2-methoxy-6-methyl-3-pyridinyl)-1H-pyrazol-3-yl)-6-((3R)-3-piperidinyloxy)-2-Pyrazinamine, N-[5-(2-methoxy-6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-6-[(3R)-3-piperidinyloxy]-RefChem:201525ESP01ESP 01ESP-01Chk1 Inhibitor LY2880070Checkpoint Kinase 1 Inhibitor LY28800701375637-35-6
名称をさらに表示
EOS-61068LY-2880070,LY2880070LY2880070, 10 mM in DMSO(R)-N-(3-(2-methoxy-6-methylpyridin-3-yl)-1H-pyrazol-5-yl)-6-(piperidin-3-yloxy)pyrazin-2-amine(R)-N-(5-(2-Methoxy-6-methylpyridin-3-yl)-1H-pyrazol-3-yl)-6-(piperidin-3-yloxy)pyrazin-2-amine(R)-[5-(2-methoxy-6-methyl-pyridin-3-yl)-2H-pyrazol-3-yl]-[6-(piperidin-3-yloxy)-pyrazin-2-yl]-amine
LY 2880070 [WHO-DD]33ZXE3519YUNII-33ZXE3519YN-[5-(2-methoxy-6-methylpyridin-3-yl)-1H-pyrazol-3-yl]-6-[(3R)-piperidin-3-yl]oxypyrazin-2-amineorb1218878orb1298241CHEMBL5095250SCHEMBL15124196
物性
構造計算による物性
- XLogP
- 2
- 極性表面積
- 110 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 8
- 回転可能結合数
- 6
- 重原子数
- 28
- 形式電荷
- 0
- 複雑度
- 485
物理化学的性質
- 沸点
- 575.3 · 575.3±50.0 °C(Predicted)
- 比重(密度)
- 1.293 · 1.293±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- 10.34 · 10.34±0.10(Predicted)
- 外見
- Solid
- 色
- Light yellow to yellow
関連反応
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