(R)-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraen-1-yl](methoxy)phosphinoyl fluoride

• ChemBase编号: 2201
• 分子式: C21H36FO2P
• 平均质量: 370.4815042
• 单一同位素质量: 370.24369524
• SMILES: CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC[P@](=O)(F)OC
• Canonical SMILES: CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC[P@@](=O)(OC)F
• InChI: InChI=1S/C21H36FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22,23)24-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/b8-7+,11-10+,14-13+,17-16+/t25-/m1/s1
• InChIKey: KWKZCGMJGHHOKJ-PDXKBQATSA-N

名称和登记号

名称

• IUPAC标准名: (R)-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraen-1-yl](methoxy)phosphinoyl fluoride
• IUPAC传统名: MAFP
• 别名: MAFP; Methoxy arachidonyl fluorophosphonate

登记号

• PubChem SID: 160965654; 46504573
• PubChem CID: 46936393

理论计算性质

JChem

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 6.826752
• LogD (pH = 7.4): 6.826752
• Log P: 6.826752
• 摩尔折射率: 112.6768 cm^3
• 极化性: 42.10538 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 16
• 里宾斯基五规则: false

ALOGPS 2.1

• Log P: 6.87
• LOG S: -5.99
• 溶解度: 3.80e-04 g/l

详细说明

DrugBank - DB02465

• Drug Groups: experimental
• Description: Methoxy arachidonyl fluorophosphonate, commonly referred as MAFP, is an irreversible active site-directed enzyme inhibitor that inhibits nearly all serine hydrolases and serine proteases. It inhibits phospholipase A2 and fatty acid amide hydrolase with special potency, displaying IC50 values in the low-nanomolar range.
• External Links: Wikipedia