5-(3,3-二氟环丁基)-3-[4-[4-甲基-5-[2-(三氟甲基)苯基]-4H-1,2,4-三唑-3-基]双环[2.2.2]辛烷-1-基]-1,2,4-恶二唑

• 常用名: 5-(3,3-二氟环丁基)-3-[4-[4-甲基-5-[2-(三氟甲基)苯基]-4H-1,2,4-三唑-3-基]双环[2.2.2]辛烷-1-基]-1,2,4-恶二唑
• 英文名: MK-4101
• CAS号: 935273-79-3
• 分子量: 493.472
• 密度: 1.5±0.1 g/cm3
• 沸点: 606.1±65.0 °C at 760 mmHg
• 分子式: C₂₄H₂₄F₅N₅O
• 熔点: N/A
• 闪点: 320.4±34.3 °C

用途

MK-4101是Hedgehog信号通路中强的SMO抑制剂,能够很好地对抗成神经管细胞瘤和基底细胞癌。

名称

• 中文名: 5-(3,3-二氟环丁基)-3-[4-[4-甲基-5-[2-(三氟甲基)苯基]-4H-1,2,4-三唑-3-基]双环[2.2.2]辛烷-1-基]-1,2,4-恶二唑
• 英文名: 5-(3,3-Difluorocyclobutyl)-3-(4-{4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}bicyclo[2.2.2]oct-1-yl)-1,2,4-oxadiazole

生物活性

• 描述: MK-4101是Hedgehog信号通路中强的SMO抑制剂,能够很好地对抗成神经管细胞瘤和基底细胞癌。
• 相关类别:
  信号通路 >> 干细胞及 Wnt 通路 >> SMO
  研究领域 >> 癌症
• 参考文献:

  [1]. Filocamo G et al. MK-4101, a Potent Inhibitor of the Hedgehog Pathway, Is Highly Active against Medulloblastoma and Basal Cell Carcinoma. Mol Cancer Ther. 2016 Jun;15(6):1177-89.

物理化学性质

• 密度: 1.5±0.1 g/cm3
• 沸点: 606.1±65.0 °C at 760 mmHg
• 分子式: C₂₄H₂₄F₅N₅O
• 分子量: 493.472
• 闪点: 320.4±34.3 °C
• 精确质量: 493.190094
• LogP: 4.58
• InChIKey: HKJOIWLYDJCTQR-UHFFFAOYSA-N
• SMILES: Cn1c(-c2ccccc2C(F)(F)F)nnc1C12CCC(c3noc(C4CC(F)(F)C4)n3)(CC1)CC2
• 外观性状: 粉末
• 蒸汽压: 0.0±1.7 mmHg at 25°C
• 折射率: 1.654
• 储存条件: -20℃

靶点实验

查看更多实验

实验名称：Diffuse intrinsic pontine glioma (SU-DIPG-XVII) cell line screen of MIPE5.0 library: ... 来源：15316 靶标：N/A External Id：s-dipg-DIPG17_CTG48h_mipe5_0-1

实验名称：qHTS drug screen for cell cycle checkpoint inhibitors in PARPi-resistant BRCA-mutant ... 来源：NCGC External Id：FGL-PARP_PEO-CTG96h-MIPE5.0-p1

实验名称：Diffuse intrinsic pontine glioma (SU-DIPG-XXV) cell line screen of MIPE5.0 library: v... 来源：15316 靶标：N/A External Id：s-dipg-DIPG25-MIPE5.0-CTF48h-p1

实验名称：Cellular viability qHTS for adrenocortical cancer (ACC) cell line SW-13 来源：NCGC 靶标：N/A External Id：ACC-ATC-p1-SW13-72hr

实验名称：Cellular viability qHTS for adrenocortical cancer (ACC) cell line NCI-H295R 来源：NCGC 靶标：N/A External Id：ACC-ATC-p1-H295R-72hr

实验名称：Primary qHTS for inhibitors of nuclear receptor binding SET domain protein 2 (NSD2) i... 来源：NCGC External Id：NSD2-synergy-p-2C

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：Diffuse intrinsic pontine glioma (SU-DIPG-XIII) cell line screen of MIPE5.0 library: ... 来源：15316 靶标：N/A External Id：s-dipg-DIPG13_CTG48h_mipe5_0-1

实验名称：Primary qHTS for inhibitors of nuclear receptor binding SET domain protein 2 (NSD2) i... 来源：NCGC External Id：NSD2-synergy-p-9B

实验名称：Diffuse intrinsic pontine glioma (SU-DIPG-XXV) cell line screen of MIPE5.0 library: v... 来源：15316 靶标：N/A External Id：s-dipg-DIPG25_CTG48h_mipe5_0-2

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英文别名

• 5-(3,3-Difluorocyclobutyl)-3-(4-{4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}bicyclo[2.2.2]oct-1-yl)-1,2,4-oxadiazole
• MK-4101