LDN-214117

• 常用名: LDN-214117
• 英文名: LDN 214117
• CAS号: 1627503-67-6
• 分子量: 419.516
• 密度: 1.1±0.1 g/cm3
• 沸点: 567.9±50.0 °C at 760 mmHg
• 分子式: C₂₅H₂₉N₃O₃
• 熔点: N/A
• 闪点: 297.3±30.1 °C

LDN-214117用途

LDN-214117是ALK2高效选择性抑制剂,IC50值为22nM,也能抑制BMP6,IC50值为100nM,对ALK5抑制力弱100倍。

LDN-214117名称

• 中文名: 1-[4-[6-甲基-5-(3,4,5-三甲氧基苯基)-3-吡啶基]苯基]哌嗪
• 英文名: 1-{4-[6-Methyl-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenyl}piperazine

LDN-214117生物活性

• 描述: LDN-214117是ALK2高效选择性抑制剂,IC50值为22nM,也能抑制BMP6,IC50值为100nM,对ALK5抑制力弱100倍。
• 相关类别:
  信号通路 >> TGF-beta/Smad 信号通路 >> TGF-β受体
  研究领域 >> 癌症
• 参考文献:

  [1]. Mohedas AH, et al. Structure-activity relationship of 3,5-diaryl-2-aminopyridine ALK2 inhibitors reveals unaltered binding affinity for fibrodysplasia ossificans progressiva causing mutants. J Med Chem. 2014 Oct 9;57(19):7900-15.

LDN-214117物理化学性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 567.9±50.0 °C at 760 mmHg
• 分子式: C₂₅H₂₉N₃O₃
• 分子量: 419.516
• 闪点: 297.3±30.1 °C
• 精确质量: 419.220886
• LogP: 3.27
• InChIKey: BHUXVRVMMYAXKN-UHFFFAOYSA-N
• SMILES: COc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2C)cc(OC)c1OC
• 外观性状: 粉末
• 蒸汽压: 0.0±1.6 mmHg at 25°C
• 折射率: 1.573
• 储存条件: 2-8°C

LDN-214117安全信息

• 危害码 (欧洲): T
• 风险声明 (欧洲): 25
• 安全声明 (欧洲): 45

LDN-214117靶点实验

查看更多实验

实验名称：Inhibition of SARS-CoV-2-induced cytopathy was measured 4 days after infection of EGF... 来源：ChEMBL 靶标：Severe acute respiratory syndrome coronavirus 2 External Id：CHEMBL5303712

实验名称：Primary qHTS assay for small molecule inhibitors of Inositol hexaphosphate kinase 1 (... 来源：NCGC External Id：IP6K1-p1

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：Selectivity index, ratio of IC50 for inhibition of ALK5 (unknown origin) transfected ... 来源：ChEMBL 靶标：N/A External Id：CHEMBL4406757

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

实验名称：Ratio of drug level in brain to plasma in NOD/SCID mouse at 25 mg/kg, po measured at ... 来源：ChEMBL 靶标：N/A External Id：CHEMBL4626287

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：Primary qHTS to identify inhibitors of SARS-CoV-2 cell entry 来源：NCGC External Id：TRND-SARS-CoV-2-PP

实验名称：Inhibition of human ALK2 using casein as substrate in presence of 10 uM [gamma33P] AT... 来源：ChEMBL 靶标：Activin receptor type-1 External Id：CHEMBL4406751

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LDN-214117英文别名

• 1-{4-[6-Methyl-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenyl}piperazine
• LDN-214117