I106
( S )-(+)-布洛芬
solid
别名:
(S)-(+)-2-(4-异丁基苯基)丙酸, (S)-(+)-4-异丁基-α-甲基苯乙酸
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关于此项目
线性分子式:
(CH3)2CHCH2C6H4CH(CH3)CO2H
化学文摘社编号:
分子量:
206.28
PubChem Substance ID:
UNSPSC Code:
12352000
Beilstein/REAXYS Number:
3590022
MDL number:
form
solid
optical activity
[α]26/D +54.46°, c = 0.6 in methanol(lit.)
color
white
mp
49-53 °C (lit.)
solubility
45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 1.5 mg/mL, 0.1 M NaOH: insoluble, methanol: soluble
SMILES string
CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O
InChI
1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1
InChI key
HEFNNWSXXWATRW-JTQLQIEISA-N
Gene Information
human ... IL8RA(3577)
Biochem/physiol Actions
抗炎剂和镇痛剂。布洛芬的活性异构体。
存储类别
13 - Non Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
法规信息
新产品
此项目有
P Jeffrey et al.
The Journal of pharmacy and pharmacology, 43(10), 715-720 (1991-10-01)
The site of metabolic inversion of R(-)-ibuprofen to the pharmacologically active S(+)-enantiomer has been investigated using an array of in-situ rat perfused organ preparations allowing vascular perfusion (55-60 min) of the separate or combined intestine and liver. After addition of
R Mehvar et al.
Clinical chemistry, 34(3), 493-496 (1988-03-01)
This stereospecific "high-performance" liquid-chromatographic (HPLC) assay is suitable for pharmacokinetic studies of ibuprofen (IB). Very efficient extraction of the drug and internal standard, (+/-)-2-(4-benzoylphenyl)butyric acid, from plasma with isooctane/isopropanol (95/5, by vol) is followed by sequential reaction of the enantiomers
R Mehvar et al.
Pharmaceutical research, 5(2), 76-79 (1988-02-01)
Equations describing plasma concentration-time courses of the individual enantiomers of chiral 2-arylpropionic acid nonsteroidal antiinflammatory drugs were derived from a general model. The model assumes first-order absorption and elimination of the enantiomers with presystemic and/or systemic R-to-S enantiomeric inversion. Utilizing
Hong Su et al.
Bioorganic & medicinal chemistry letters, 21(12), 3578-3582 (2011-05-24)
Newly developed monofluoromethylation reaction provided access to various bioactive molecules with an interesting monofluoromethyl unit. An iridium-catalyzed asymmetric version was employed for large-scale methyl-monofluorination of widely used nonsteroidal anti-inflammatory drug ibuprofen (the active S isoform). The methyl-monofluorinated ibuprofen was found
Surjeet Singh et al.
Bioorganic & medicinal chemistry letters, 17(13), 3706-3711 (2007-05-08)
The present study revealed the synergistic effect of boswellic acid mixture (BA) and glucosamine for anti-inflammatory and anti-arthritic activities in rats. Two studies were conducted, that is, acute anti-inflammatory by carrageenan edema and chronic anti-arthritic by Mycobacterium-induced developing arthritis. Five
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