4,5-二氢-3-(4-羟基苯基)-5-异恶唑乙酸甲酯

• 常用名: 4,5-二氢-3-(4-羟基苯基)-5-异恶唑乙酸甲酯
• 英文名: ISO-1
• CAS号: 478336-92-4
• 分子量: 235.236
• 密度: 1.3±0.1 g/cm3
• 沸点: 365.0±48.0 °C at 760 mmHg
• 分子式: C₁₂H₁₃NO₄
• 熔点: 114 °C
• 闪点: 174.6±29.6 °C

用途

ISO-1是MIF d-多巴色素互变异构酶抑制剂，IC50为7uM。

4,5-二氢-3-(4-羟基苯基)-5-异恶唑乙酸甲酯名称

• 中文名: 4,5-二氢-3-(4-羟基苯基)-5-异恶唑乙酸甲酯
• 英文名: methyl 2-[3-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,2-oxazolidin-5-yl]acetate

4,5-二氢-3-(4-羟基苯基)-5-异恶唑乙酸甲酯生物活性

• 描述: ISO-1是巨噬细胞移动抑制因子(MIF) 拮抗剂,IC50 为7 μM。
• 相关类别:
  信号通路 >> 其他 >> 其他
  研究领域 >> 炎症/免疫
• 参考文献:

  [1]. Lubetsky JB, et al. The tautomerase active site of macrophage migration inhibitory factor is a potential target for discovery of novel anti-inflammatory agents. J Biol Chem. 2002 Jul 12;277(28):24976-82.

  [2]. Al-Abed Y, et al. ISO-1 binding to the tautomerase active site of MIF inhibits its pro-inflammatory activity and increases survival in severe sepsis. J Biol Chem. 2005 Nov 4;280(44):36541-4.

  [3]. Nothnick WB, et al. Inhibition of macrophage migration inhibitory factor reduces endometriotic implant size in mice with experimentally induced disease. J Endometr. 2011 Sep 30;3(3):135-142.

4,5-二氢-3-(4-羟基苯基)-5-异恶唑乙酸甲酯物理化学性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 365.0±48.0 °C at 760 mmHg
• 熔点: 114 °C
• 分子式: C₁₂H₁₃NO₄
• 分子量: 235.236
• 闪点: 174.6±29.6 °C
• 精确质量: 235.084457
• PSA: 64.63000
• LogP: 0.89
• InChIKey: AIXMJTYHQHQJLU-UHFFFAOYSA-N
• SMILES: COC(=O)CC1CC(c2ccc(O)cc2)=NO1
• 外观性状: 固体;White to Almost white powder to crystal
• 蒸汽压: 0.0±0.8 mmHg at 25°C
• 折射率: 1.582
• 储存条件: -20°C;存放于惰性气体之中;避免光,湿气 (吸湿),加热

4,5-二氢-3-(4-羟基苯基)-5-异恶唑乙酸甲酯安全信息

• 海关编码: 2934999090

4,5-二氢-3-(4-羟基苯基)-5-异恶唑乙酸甲酯海关

• 海关编码: 2934999090
• 中文概述: 2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
• 申报要素: 品名, 成分含量, 用途
• Summary: 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

4,5-二氢-3-(4-羟基苯基)-5-异恶唑乙酸甲酯靶点实验

查看更多实验

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：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：Inhibition of human purified MIF tautomerase activity at 100 uM after 30 mins 来源：ChEMBL 靶标：Macrophage migration inhibitory factor External Id：CHEMBL1685253

实验名称：Antiinflammatory activity in human PBMC assessed as inhibition of MIF-induced TNFalph... 来源：ChEMBL 靶标：PBMC External Id：CHEMBL1685254

实验名称：Antiinflammatory activity in human PBMC assessed as inhibition of MIF-induced IL1-bet... 来源：ChEMBL 靶标：PBMC External Id：CHEMBL1685255

实验名称：Antiinflammatory activity in human PBMC assessed as inhibition of MIF-induced IL-6 pr... 来源：ChEMBL 靶标：PBMC External Id：CHEMBL1685256

实验名称：Inhibition of MIF in human PBMC assessed as MIF secretion at 100 uM after 5 hrs by EL... 来源：ChEMBL 靶标：Macrophage migration inhibitory factor External Id：CHEMBL1685257

实验名称：A screen for small molecules that modulate mitochondrial supercomplex formation 来源：ICCB-Longwood/NSRB Screening Facility, Harvard Medical School 靶标：N/A External Id：HMS1482

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4,5-二氢-3-(4-羟基苯基)-5-异恶唑乙酸甲酯英文别名

• Methyl [3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate
• UNII-7QFF3Z0V9X
• MIF Antagonist,ISO-1
• 5-Isoxazoleacetic acid, 4,5-dihydro-3-(4-hydroxyphenyl)-, methyl ester
• 3-(4-HYDROXYPHENYL)-4,5-DIHYDRO-5-ISOXAZOLE-ACETIC ACID METHYL ESTER
• 3-(4-hydroxyphenyl)-4,5-dihydro-5-isoxazoleacetic acid methyl ester
• UNII:7QFF3Z0V9X
• Macrophage Migration Inhibitory Factor Antagonist,ISO-1
• ISO-1