N-[6-(4-氯苯氧基)己基]-N'-氰基-N''-4-吡啶基胍

• 常用名: N-[6-(4-氯苯氧基)己基]-N'-氰基-N''-4-吡啶基胍
• 英文名: GMX1778
• CAS号: 200484-11-3
• 分子量: 371.864
• 密度: 1.2±0.1 g/cm3
• 沸点: 526.9±58.0 °C at 760 mmHg
• 分子式: C₁₉H₂₂ClN₅O
• 熔点: N/A
• 闪点: 272.4±32.3 °C
• 符号: GHS07
• 信号词: Warning

用途

GMX1778(CHS-828)是NAMPT高效抑制剂,可抑制剂NAD_addition_的生化合成,IC50值小于25nM。

名称

• 中文名: N-[6-(4-氯苯氧基)己基]-N'-氰基-N''-4-吡啶基胍
• 英文名: chs-828

生物活性

• 描述: GMX1778(CHS-828)是NAMPT高效抑制剂,可抑制剂NAD_addition_的生化合成,IC50值小于25nM。
• 相关类别:
  信号通路 >> 代谢酶/蛋白酶 >> NAMPT
  研究领域 >> 癌症
• 参考文献:

  [1]. Watson M, et al. The small molecule GMX1778 is a potent inhibitor of NAD+ biosynthesis: strategy for enhanced therapy in nicotinic acid phosphoribosyltransferase 1-deficient tumors. Mol Cell Biol. 2009 Nov;29(21):5872-88.

  [2]. Cerna D, et al. Inhibition of nicotinamide phosphoribosyltransferase (NAMPT) activity by small molecule GMX1778 regulates reactive oxygen species (ROS)-mediated cytotoxicity in a p53- and nicotinic acid phosphoribosyltransferase1 (NAPRT1)-dependent manner. J Biol Chem. 2012 Jun 22;287(26):22408-17.

物理化学性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 526.9±58.0 °C at 760 mmHg
• 分子式: C₁₉H₂₂ClN₅O
• 分子量: 371.864
• 闪点: 272.4±32.3 °C
• 精确质量: 371.151276
• PSA: 82.33000
• LogP: 4.95
• InChIKey: BOIPLTNGIAPDBY-UHFFFAOYSA-N
• SMILES: N#CNC(=NCCCCCCOc1ccc(Cl)cc1)Nc1ccncc1
• 外观性状: white solid
• 蒸汽压: 0.0±1.4 mmHg at 25°C
• 折射率: 1.587
• 储存条件: -20℃

MSDS

MSDS英文版

安全信息

• 符号: GHS07
• 信号词: Warning
• 危害声明: H302-H315-H319-H335
• 警示性声明: P301 + P312 + P330-P305 + P351 + P338
• 危险品运输编码: NONH for all modes of transport

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：Inhibition of human full length C-terminal His6-tagged NAMPT expressed in Escherichia... 来源：ChEMBL 靶标：Nicotinamide phosphoribosyltransferase External Id：CHEMBL3867189

实验名称：Inhibition of NAMPT in human A2780 cells assessed as decrease in cell viability after... 来源：ChEMBL 靶标：Nicotinamide phosphoribosyltransferase External Id：CHEMBL3867190

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：Reversible inhibition of CYP2C9 in human liver microsomes using (S)-warfarin as subst... 来源：ChEMBL 靶标：Cytochrome P450 2C9 External Id：CHEMBL3867191

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：Cytochrome P450 family 3 subfamily A member 4 (CYP3A4) small molecule antagonists: lu... 来源：NCGC External Id：CYP3A4437

实验名称：Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate in pre... 来源：ChEMBL 靶标：Cytochrome P450 2C19 External Id：CHEMBL3867196

实验名称：Cytochrome P450 family 2 subfamily D member 6 (CYP2D6) small molecule antagonists: lu... 来源：NCGC External Id：CYP2D6395

实验名称：Cytochrome P450 family 2 subfamily C member 9 (CYP2C9) small molecule antagonists: lu... 来源：NCGC External Id：CYP2C9536

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英文别名

• N-Cyano-N'-(4-nitrophenyl)thiourea
• N-cyano-N'-(6-(p-chlorophenoxy)hexyl)-N"-(4-pyridyl)guanidine
• Thiourea,N-cyano-N'-(4-nitrophenyl)
• 2-[6-(4-Chlorophenoxy)hexyl]-1-cyano-3-(4-pyridinyl)guanidine
• GMX1778