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Merck
CN
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文件

安全信息

279900

Sigma-Aldrich

(S)-(+)-2-苯基丙酸

97%

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别名:
(S)-(+)-氢化阿托酸, (S)-HTA
线性分子式:
CH3CH(C6H5)CO2H
CAS号:
7782-24-3
分子量:
150.17
Beilstein:
2044507
MDL编号:
MFCD00063139
UNSPSC代码:
12352002
PubChem化学物质编号:
24856916
NACRES:
NA.22

质量水平

100

检测方案

97%

形式

solid

旋光性

[α]20/D +72°, c = 1.6 in chloroform

光学纯度

ee: 98% (HPLC)

折射率

n20/D 1.522 (lit.)

bp

115 °C/1 mmHg (lit.)

mp

29-30 °C (lit.)

密度

1.1 g/mL at 25 °C (lit.)

SMILES字符串

C[C@H](C(O)=O)c1ccccc1

InChI

1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)/t7-/m0/s1

InChI key

YPGCWEMNNLXISK-ZETCQYMHSA-N

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应用

手性结构单元。拆分剂

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GHS07

警示用语：

Warning

危险分类

Eye Irrit. 2 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

靶器官

Respiratory system

WGK

WGK 3

闪点(°F)

closed cup

闪点(°C)

closed cup

个人防护装备

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

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Y S He et al.
Yao xue xue bao = Acta pharmaceutica Sinica, 28(11), 817-822 (1993-01-01)
The stereoselective chrono-pharmacokinetic parameters of hydratropic acid in rats were studied. The results showed that under standard light-dark cycle pharmacokinetic parameters of T1/2 alpha and CL are stereoselective and under reverse light-dark cycle, parameters T1/2 beta, AUC, CL, Vc and
A J Hutt et al.
Chirality, 5(8), 596-601 (1993-01-01)
The metabolism of (R,S)-ibuprofen has been investigated in 24 microbial cultures. Of these Cunninghamella elegans, Mucor hiemalis, and Verticillium lecanii catalyzed the oxidation of the drug to 2-[4-(2-hydroxy-2-methylpropyl)phenyl]propionic acid, a known mammalian metabolite. The extent of metabolism was greatest with
D K Bhattacharyya et al.
The Journal of biological chemistry, 271(4), 2179-2184 (1996-01-26)
Examination of the crystal structure of the ovine prostaglandin endoperoxide synthase-1 (PGHS-1)/S- flurbiprofen complex (Picot, D., Loll, P.J., and Garavito, R.M. (1994) Nature 367, 243-2491) suggests (a) that the carboxyl group of arachidonic acid interacts with the arginino group of
David M Shackleford et al.
Current drug metabolism, 7(7), 817-826 (2006-11-01)
The vectorial movement of glucuronide conjugates from blood into bile can be an important elimination route for many drug metabolites, however the intrinsic hydrophilicity of those conjugates may conceptually act to reduce the overall efficiency of that process by limiting
Stereospecificity of enzyme induction by 2-phenylpropionic acid.
S Fournel et al.
Pharmacology & therapeutics, 33(1), 79-82 (1987-01-01)
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Chromatograms

application for HPLC

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