2H-四唑乙酸,5-[3-[4-(2-溴-5-氟苯氧基)-1-哌啶基]-5-异恶唑]-

• 常用名: 2H-四唑乙酸,5-[3-[4-(2-溴-5-氟苯氧基)-1-哌啶基]-5-异恶唑]-
• 英文名: MK-8245
• CAS号: 1030612-90-8
• 分子量: 467.249
• 密度: 1.8±0.1 g/cm3
• 沸点: 698.3±65.0 °C at 760 mmHg
• 分子式: C₁₇H₁₆BrFN₆O₄
• 熔点: N/A
• 闪点: 376.1±34.3 °C

用途

MK-8245是肝靶向的硬脂酰-CoA去饱和酶(SCD)抑制剂,对人SCD1和鼠SCD1的IC50分别为1 nM和3 nM。

名称

• 中文名: 2H-四唑乙酸,5-[3-[4-(2-溴-5-氟苯氧基)-1-哌啶基]-5-异恶唑]-
• 英文名: 2-[5-[3-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid
• 中文别名: 5-[3-[4-(2-溴-5-氟苯氧基)-1-哌啶基]-5-异恶唑基]-2H-四氮唑-2-乙酸

生物活性

• 描述: MK-8245是肝靶向的硬脂酰-CoA去饱和酶(SCD)抑制剂,对人SCD1和鼠SCD1的IC50分别为1 nM和3 nM。
• 相关类别:
  信号通路 >> 代谢酶/蛋白酶 >> 硬脂酰辅酶A去饱和酶(SCD)
  研究领域 >> 代谢疾病
• 参考文献:

  [1]. Oballa RM, et al. Development of a liver-targeted stearoyl-CoA desaturase (SCD) inhibitor (MK-8245) to establish a therapeutic window for the treatment of diabetes and dyslipidemia.J Med Chem. 2011 Jul 28;54(14):5082-96. Epub 2011 Jun 28.

物理化学性质

• 密度: 1.8±0.1 g/cm3
• 沸点: 698.3±65.0 °C at 760 mmHg
• 分子式: C₁₇H₁₆BrFN₆O₄
• 分子量: 467.249
• 闪点: 376.1±34.3 °C
• 精确质量: 466.040039
• PSA: 119.40000
• LogP: 1.12
• InChIKey: UJEAABFSXKCSGI-UHFFFAOYSA-N
• SMILES: O=C(O)Cn1nnc(-c2cc(N3CCC(Oc4cc(F)ccc4Br)CC3)no2)n1
• 蒸汽压: 0.0±2.3 mmHg at 25°C
• 折射率: 1.737
• 储存条件: 室温，干燥，密封

安全信息

• 危害码 (欧洲): Xi

靶点实验

查看更多实验

实验名称：Ratio drug uptake in liver to plasma of female rhesus monkey at 5 mg/kg, po measured ... 来源：ChEMBL 靶标：N/A External Id：CHEMBL2154252

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：Ratio drug uptake in liver to plasma of Beagle dog at 5 mg/kg, po measured 6 hrs post... 来源：ChEMBL 靶标：Liver External Id：CHEMBL2154253

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：Ratio drug uptake in liver to plasma of C57BL6 mouse at 10 mg/kg, po measured 6 hrs p... 来源：ChEMBL 靶标：Liver External Id：CHEMBL2154250

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：Ratio drug uptake in liver to plasma of Sprague-Dawley rat at 10 mg/kg, po measured 6... 来源：ChEMBL 靶标：Liver External Id：CHEMBL2154251

实验名称：Transport mediated by human OATP1B1 butyrate treated stably transfected in dog MDCK2 ... 来源：ChEMBL 靶标：Solute carrier organic anion transporter family member 1B1 External Id：CHEMBL2154254

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：Transport mediated by human OATP1B3 stably transfected in butyrate treated dog MDCK2 ... 来源：ChEMBL 靶标：Solute carrier organic anion transporter family member 1B3 External Id：CHEMBL2154255

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英文别名

• UNII-537E7QE8LX
• CS-0410
• (5-{3-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]isoxazol-5-yl}tetrazol-2-yl)acetic acid
• MK8245
• (5-{3-[4-(2-Bromo-5-fluorophenoxy)-1-piperidinyl]-1,2-oxazol-5-yl}-2H-tetrazol-2-yl)acetic acid
• (5-{3-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]isoxazol-5-yl}-2H-tetrazol-2-yl)acetic acid
• cc-136
• MK-8245