N-乙基-N'-[2-甲氧基-4-[5-甲基-4-[[(1S)-1-(3-吡啶基)丁基]氨基]-2-嘧啶基]苯基]脲

• 常用名: N-乙基-N'-[2-甲氧基-4-[5-甲基-4-[[(1S)-1-(3-吡啶基)丁基]氨基]-2-嘧啶基]苯基]脲
• 英文名: CYT997(Lexibulin)
• CAS号: 917111-44-5
• 分子量: 434.53
• 密度: 1.2±0.1 g/cm3
• 沸点: 557.7±50.0 °C at 760 mmHg
• 分子式: C₂₄H₃₀N₆O₂
• 熔点: N/A
• 闪点: 291.1±30.1 °C

用途

Lexibulin(CYT-997)是微管蛋白聚集强效抑制剂，对多种癌细胞的IC50值为10-100nM，体外体内具有高效的细胞毒性和血管增生阻断作用。

名称

• 中文名: N-乙基-N’-[2-甲氧基-4-[5-甲基-4-[[(1S)-1-(3-吡啶基)丁基]氨基]-2-嘧啶基]苯基]脲
• 英文名: 1-ethyl-3-[2-methoxy-4-[5-methyl-4-[[(1S)-1-pyridin-3-ylbutyl]amino]pyrimidin-2-yl]phenyl]urea

生物活性

• 描述: Lexibulin(CYT-997)是微管蛋白聚集强效抑制剂,对多种癌细胞的IC50值为10-100nM,体外体内具有高效的细胞毒性和血管增生阻断作用。
• 相关类别:
  信号通路 >> 细胞周期/DNA损伤 >> 微管/微管蛋白
  信号通路 >> 细胞骨架 >> 微管/微管蛋白
  研究领域 >> 癌症
• 参考文献:

  [1]. Burns CJ, et al. CYT997: a novel orally active tubulin polymerization inhibitor with potent cytotoxic and vascular disrupting activity in vitro and in vivo. Mol Cancer Ther. 2009 Nov;8(11):3036-45.

  [2]. Monaghan K, et al. CYT997 causes apoptosis in human multiple myeloma. Invest New Drugs. 2011 Apr;29(2):232-8.

物理化学性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 557.7±50.0 °C at 760 mmHg
• 分子式: C₂₄H₃₀N₆O₂
• 分子量: 434.53
• 闪点: 291.1±30.1 °C
• PSA: 107.78000
• LogP: 4.14
• InChIKey: MTJHLONVHHPNSI-IBGZPJMESA-N
• SMILES: CCCC(Nc1nc(-c2ccc(NC(=O)NCC)c(OC)c2)ncc1C)c1cccnc1
• 外观性状: 粉末
• 蒸汽压: 0.0±1.5 mmHg at 25°C
• 折射率: 1.610
• 储存条件: -20℃

靶点实验

查看更多实验

实验名称：Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident pro... 来源：NCGC 靶标：N/A External Id：SERCaMPGLuc-p1-antagonist

实验名称：Primary qHTS assay for inhibitors of alpha-synuclein gene (SNCA) expression 来源：NCGC External Id：SNCA-p-activity-luciferase

实验名称：Metabolic stability in mouse liver microsomes assessed as compound remaining at 5 uM ... 来源：ChEMBL 靶标：N/A External Id：CHEMBL3089547

实验名称：Metabolic stability in human liver microsomes assessed as compound remaining at 5 uM ... 来源：ChEMBL 靶标：Liver microsome External Id：CHEMBL3089548

实验名称：Toxicity in HUVEC assessed as growth inhibition 来源：ChEMBL 靶标：HUVEC External Id：CHEMBL3089550

实验名称：Primary qHTS for Identification of Small Molecule Activators of Huntingtin-Antisense ... 来源：NCGC External Id：huntington-HTTAS8-p1-FF-overN

实验名称：Vascular disrupting activity in HUVEC assessed as disruption of capillary-like struct... 来源：ChEMBL 靶标：HUVEC External Id：CHEMBL3089554

实验名称：Cytotoxicity against human A549 cells assessed as growth inhibition after 72 hrs by M... 来源：ChEMBL 靶标：A549 External Id：CHEMBL3089555

实验名称：Cytotoxicity counterscreen for inhibitors of SARS-CoV-2 cell entry 来源：NCGC 靶标：N/A External Id：TRND-SARS-CoV-2-cytotox-48hr

实验名称：Cytotoxicity against human HCT116 cells assessed as growth inhibition after 72 hrs by... 来源：ChEMBL 靶标：HCT-116 External Id：CHEMBL3089556

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英文别名

• S2195_Selleck
• Lexibulin (USAN)
• CYT997 (Lexibulin)
• Lexibulin
• N-[2-methoxy-4-(6-{[(1S)-1-pyridin-3-ylbutyl]amino}pyrazin-2-yl)phenyl]-N'-ethylurea
• Lexibulin [INN]
• N-ethyl-N'-[2-methoxy-4-(5-methyl-4-{[(1S)-1-pyridin-3-ylbutyl]amino}pyrimidin-2-yl)phenyl]urea
• 1-Ethyl-3-[2-methoxy-4-(5-methyl-4-{[(1S)-1-(3-pyridinyl)pentyl]amino}-2-pyrimidinyl)phenyl]urea
• N-ethyl-N'-[2-methoxy-4-[5-methyl-4-[[(1S)-1-(3-pyridinyl)butyl]amino]-2-pyrimidinyl]phenyl]-urea
• N-ethyl-N'-[2-methoxy-4-(5-methyl-4-{[(1S)-1-(pyridin-3-yl)butyl]amino}pyrimidin-2-yl)phenyl]urea
• Lexibulin [USAN:INN]
• CYT997
• (S)-1-ethyl-3-(2-methoxy-4-(5-methyl-4-((1-(pyridin-3-yl)butyl)amino)pyrimidin-2-yl)phenyl)urea