KML29

• 常用名: KML29
• 英文名: KML 29
• CAS号: 1380424-42-9
• 分子量: 549.417
• 密度: 1.5±0.1 g/cm3
• 沸点: 554.8±50.0 °C at 760 mmHg
• 分子式: C₂₄H₂₁F₆NO₇
• 熔点: N/A
• 闪点: 289.3±30.1 °C

KML29用途

KML29是一种有效的选择性MAGL抑制剂, 抑制人, 小鼠, 和大鼠脑蛋白酶时, IC50 分别为5.9, 15, 和 43 nM。

KML29名称

• 中文名: KML29
• 英文名: 1,1,1,3,3,3-Hexafluoro-2-propanyl 4-[bis(1,3-benzodioxol-5-yl)(hy droxy)methyl]-1-piperidinecarboxylate

KML29生物活性

• 描述: KML29是一种有效的选择性MAGL抑制剂, 抑制人, 小鼠, 和大鼠脑蛋白酶时, IC50 分别为5.9, 15, 和 43 nM。
• 相关类别:
  信号通路 >> 代谢酶/蛋白酶 >> MAGL
  研究领域 >> 代谢疾病
• 参考文献:

  [1]. Chang JW, et al. Highly selective inhibitors of monoacylglycerol lipase bearing a reactive group that is bioisosteric with endocannabinoid substrates. Chem Biol. 2012 May 25;19(5):579-588.

  [2]. Ignatowska-Jankowska BM,et al. In vivo characterization of the highly selective monoacylglycerol lipase inhibitor KML29: antinociceptive activity without cannabimimetic side effects. Br J Pharmacol. 2014 Mar;171(6):1392-1407.

KML29物理化学性质

• 密度: 1.5±0.1 g/cm3
• 沸点: 554.8±50.0 °C at 760 mmHg
• 分子式: C₂₄H₂₁F₆NO₇
• 分子量: 549.417
• 闪点: 289.3±30.1 °C
• 精确质量: 549.122192
• PSA: 86.69000
• LogP: 6.05
• InChIKey: SXHQLPHDBLTFPM-UHFFFAOYSA-N
• SMILES: O=C(OC(C(F)(F)F)C(F)(F)F)N1CCC(C(O)(c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)CC1
• 蒸汽压: 0.0±1.6 mmHg at 25°C
• 折射率: 1.544
• 储存条件: 2-8℃

KML29靶点实验

查看更多实验

实验名称：Inhibition of human recombinant MAGL using 4-NPA as substrate after 30 mins 来源：ChEMBL 靶标：Monoglyceride lipase External Id：CHEMBL4424599

实验名称：Enzymatic assay of human HDAC6 with commercial peptide substrate 来源：ChEMBL 靶标：Histone deacetylase 6 External Id：CHEMBL4808149

实验名称：Enzymatic assay of human HDAC6 with custom peptide substrate 来源：ChEMBL 靶标：Histone deacetylase 6 External Id：CHEMBL4808150

实验名称：Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VER... 来源：ChEMBL 靶标：Severe acute respiratory syndrome coronavirus 2 External Id：CHEMBL4513082

实验名称：In Vitro Competitive Activity-Based Protein Assay from US Patent US9133148: "Carbamat... 来源：BindingDB 靶标：N/A External Id：BindingDB_7190_1

实验名称：Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Cac... 来源：ChEMBL 靶标：Severe acute respiratory syndrome coronavirus 2 External Id：CHEMBL4303805

实验名称：SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response f... 来源：ChEMBL 靶标：Replicase polyprotein 1ab External Id：CHEMBL4495582

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KML29英文别名

• 1,1,1,3,3,3-hexafluoroprop-2-yl acrylate
• 1,1,1,3,3,3-hexafluoropropan-2-yl acrylate
• Acrylic Acid 1,1,1,3,3,3-Hexafluoroisopropyl Ester
• 1-Piperidinecarboxylic acid, 4-[bis(1,3-benzodioxol-5-yl)hydroxymethyl]-, 2,2,2-trifluoro-1-(trifluoromethyl)ethyl ester
• hexafluoro-2-propyl acrylate
• Hexafluoroisopropyl acrylate
• 1,1,1,3,3,3-Hexafluoro-2-propanyl 4-[bis(1,3-benzodioxol-5-yl)(hydroxy)methyl]-1-piperidinecarboxylate
• 1,1,1,3,3,3-hexafluoroisopropylacrylate
• KML-29
• KML29