2-Phenylbutanoic acid
(Synonyms: 2-苯基丁酸) 目录号 : GC62784
2-Phenylbutyric acid (alpha-Phenylbutyric acid, alpha-phenylbutyrate, alpha-Ethylphenylacetic acid), belongs to the class of organic compounds known as phenylpropanes, is used as an anticholesteremic.
Cas No.:90-27-7
Sample solution is provided at 25 µL, 10mM.
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Quality Control & SDS
- View current batch:
- Purity: >98.00%
- COA (Certificate Of Analysis)
- SDS (Safety Data Sheet)
- Datasheet
2-Phenylbutyric acid (alpha-Phenylbutyric acid, alpha-phenylbutyrate, alpha-Ethylphenylacetic acid), belongs to the class of organic compounds known as phenylpropanes, is used as an anticholesteremic.
| Cas No. | 90-27-7 | SDF | |
| 别名 | 2-苯基丁酸 | ||
| 分子式 | C10H12O2 | 分子量 | 164.2 |
| 溶解度 | 储存条件 | Store at -20°C | |
| General tips | 请根据产品在不同溶剂中的溶解度选择合适的溶剂配制储备液；一旦配成溶液，请分装保存，避免反复冻融造成的产品失效。 储备液的保存方式和期限：-80°C 储存时，请在 6 个月内使用，-20°C 储存时，请在 1 个月内使用。 为了提高溶解度，请将管子加热至37℃，然后在超声波浴中震荡一段时间。 |
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| Shipping Condition | 评估样品解决方案：配备蓝冰进行发货。所有其他可用尺寸：配备RT，或根据请求配备蓝冰。 | ||
| 制备储备液 | |||
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1 mg | 5 mg | 10 mg |
| 1 mM | 6.0901 mL | 30.4507 mL | 60.9013 mL |
| 5 mM | 1.218 mL | 6.0901 mL | 12.1803 mL |
| 10 mM | 0.609 mL | 3.0451 mL | 6.0901 mL |
| 第一步：请输入基本实验信息（考虑到实验过程中的损耗，建议多配一只动物的药量） | ||||||||||
| 给药剂量 | mg/kg |  |
动物平均体重 | g | |
每只动物给药体积 | ul | |
动物数量 | 只 |
| 第二步：请输入动物体内配方组成（配方适用于不溶于水的药物；不同批次药物配方比例不同，请联系GLPBIO为您提供正确的澄清溶液配方） | ||||||||||
| % DMSO % % Tween 80 % saline | ||||||||||
| 计算重置 | ||||||||||
计算结果:
工作液浓度： mg/ml；
DMSO母液配制方法： mg 药物溶于 μL DMSO溶液（母液浓度 mg/mL，
体内配方配制方法：取 μL DMSO母液，加入 μL PEG300，混匀澄清后加入μL Tween 80，混匀澄清后加入 μL saline，混匀澄清。
1. 首先保证母液是澄清的；
2.
一定要按照顺序依次将溶剂加入，进行下一步操作之前必须保证上一步操作得到的是澄清的溶液，可采用涡旋、超声或水浴加热等物理方法助溶。
3. 以上所有助溶剂都可在 GlpBio 网站选购。
Resolution of racemic carboxylic acids via the lipase-catalyzed irreversible transesterification of vinyl esters
Chirality 1999;11(7):554-60.PMID:10423282DOI:10.1002/(SICI)1520-636X(1999)11:7<554::AID-CHIR7>3.0.CO;2-4.
The lipase-catalyzed irreversible transesterification procedure using vinyl esters was applied to the resolution of racemic 2-phenoxypropanoic acids. Aspergillus niger lipase showed high enantioselectivities and reasonable reaction rates. The enantioselectivity was found to be affected profoundly by several variables, e.g., the alcohol as nucleophile, the organic solvent used, and the reaction temperature. A gram-scale resolution of (RS)-2-phenoxypropanoic acid was achieved after optimization of the reaction conditions. Then this irreversible transesterification procedure was applied to the resolution of some related 2-substituted carboxylic acids. Thus, racemic 2-methoxy-2-phenylacetic acid was resolved via the A. niger lipase-catalyzed transesterification of the corresponding vinyl ester. 2-Phenylpropanoic acid and 2-Phenylbutanoic acid were resolved using Pseudomonas sp. lipase. A gram-scale resolution of 2-Phenylbutanoic acid was achieved by this procedure coupled with the porcine liver esterase-catalyzed hydrolysis of the resulting methyl ester.
Acylation of aromatic ethers over solid acid catalysts: scope of the reaction with more complex acylating agents
Org Biomol Chem 2003 Jul 7;1(13):2321-5.PMID:12945704DOI:10.1039/b303906d.
Acylation of anisole with 2-Phenylbutanoic acid derivatives, over zeolite catalysts, gives the corresponding 4-acyl derivatives with high regioselectivity. In an analogous way, 2,3-dihydrobenzofuran reacts with acid anhydrides or chlorides in the presence of catalytic quantities of zeolites to give the corresponding 5-acyl-2,3-dihydrobenzofurans. The zeolite can be recovered, regenerated and used again to give almost the same yield as with fresh zeolite. The reaction has been applied to the synthesis of ethyl (2,3-dihydrobenzofuran-5-yl)glyoxylate.
Synthesis of tetrahydronaphthalene lignan esters by intramolecular cyclization of ethyl p-azidophenyl-2-phenylalkanoates and evaluation of the growth inhibition of human tumor cell lines
J Med Chem 2011 May 12;54(9):3175-87.PMID:21504224DOI:10.1021/jm101182s.
Intramolecular cyclization via nitrenium ion of 2-phenylpentanoic/2-Phenylbutanoic acid esters with a terminal p-azidophenyl group gives direct access to tetrahydronaphthalene lignan esters. The p-azidophenyl-substituted butanoate led to an ethyl spirodienone carboxylate, while its homologue pentanoate gave ethyl 4-(4-aminophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylate in good yield. In contrast, the m-azidophenyl-substituted esters suffered aromatic nucleophilic addition of trifluoromethanesulfonate. X-ray crystallography established unequivocally the end products structure, and density functional theory studies were performed to rationalize the cyclization outcome. Reaction intermediates and end products were evaluated for their capacity to inhibit in vitro growth of the cell lines MCF-7 (breast cancer), NCI-H460 (lung cancer), SF-268 (CNS cancer), and UACC-62 (melanoma). Growth inhibition of breast, lung, and CNS cancer cell lines was observed with the spirodienone carboxylate, the m-nitrophenylalkyl iodides, and p-phenyl-substituted elongated ethyl esters, namely, the p-nitrophenylpentanoate and p-aminophenylbutanoate, with the latter being also effective on the melanoma cell line.