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114-70-5

114-70-5 | Benzeneacetic acid, sodium salt (1:1)

CAS No: 114-70-5 Catalog No: AG000AA6 MDL No:

Product Description

Catalog Number:
AG000AA6
Chemical Name:
Benzeneacetic acid, sodium salt (1:1)
CAS Number:
114-70-5
Molecular Formula:
C8H7NaO2
Molecular Weight:
158.1298
IUPAC Name:
sodium;2-phenylacetate
InChI:
InChI=1S/C8H8O2.Na/c9-8(10)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);/q;+1/p-1
InChI Key:
HZOREEUASZHZBI-UHFFFAOYSA-M
SMILES:
[O-]C(=O)Cc1ccccc1.[Na+]
EC Number:
204-052-7
UNII:
48N6U1781G

Properties

Complexity:
119  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.034g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.132g/mol
Monoisotopic Mass:
158.034g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Literature

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Enzymatic oxidation of 2-phenylethylamine to phenylacetic acid and 2-phenylethanol with special reference to the metabolism of its intermediate phenylacetaldehyde. Basic & clinical pharmacology & toxicology 20041201
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Synthesis of flavor and fragrance esters using Candida antarctica lipase. Applied microbiology and biotechnology 20040901
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Regulation of penicillin G acylase gene expression in Escherichia coli by repressor PaaX and the cAMP-cAMP receptor protein complex. The Journal of biological chemistry 20040806
Redifferentiation therapy for thyroid cancer. The Surgical clinics of North America 20040601
Multisite inhibition by phenylacetate of PC-3 cell growth. Anti-cancer drugs 20040601
Structural and kinetic studies on ligand binding in wild-type and active-site mutants of penicillin acylase. Protein engineering, design & selection : PEDS 20040501
Blue light stimulates cyanobacterial motility via a cAMP signal transduction system. Molecular microbiology 20040401
Pharmacokinetics of sodium phenylacetate and sodium benzoate following intravenous administration as both a bolus and continuous infusion to healthy adult volunteers. Molecular genetics and metabolism 20040401
Effect of alternative pathway therapy on branched chain amino acid metabolism in urea cycle disorder patients. Molecular genetics and metabolism 20040401
Identification and antimicrobial activity of phenylacetic acid produced by Bacillus licheniformis isolated from fermented soybean, Chungkook-Jang. Current microbiology 20040401
Synthesis of some new 4,5-substituted-4H-1,2,4-triazole-3-thiol derivatives. Molecules (Basel, Switzerland) 20040331
Inhibitory effects of green tea polyphenols on the production of a virulence factor of the periodontal-disease-causing anaerobic bacterium Porphyromonas gingivalis. Journal of agricultural and food chemistry 20040324
The evolution of the phenylacetic acid degradation pathway in bacteria. Bioscience, biotechnology, and biochemistry 20040301
Phenylbutyrate and phenylacetate induce differentiation and inhibit proliferation of human medulloblastoma cells. Clinical cancer research : an official journal of the American Association for Cancer Research 20040201
Cytochrome c: a catalyst and target of nitrite-hydrogen peroxide-dependent protein nitration. Archives of biochemistry and biophysics 20040101
Synthesis, characterization, and mesophase formation of phenylacetoxy cellulose and its halogenated derivatives. Biomacromolecules 20040101
Gas chromatographic--mass spectrometric determination of phenylacetic acid in human blood. Annali di chimica 20040101
Growth inhibition of MCF-7 tumor cell line by phenylacetate linked to functionalized dextran. Journal of biomaterials science. Polymer edition 20040101
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Increased plasma phenylacetic acid in patients with end-stage renal failure inhibits iNOS expression. The Journal of clinical investigation 20030715
Vibrational study of the metal-adsorbate interaction of phenylacetic acid and alpha-phenylglycine on silver surfaces. Journal of colloid and interface science 20030715
Peroxisome proliferator-activated receptor-gamma upregulates caveolin-1 and caveolin-2 expression in human carcinoma cells. Oncogene 20030619
Structure-activity relationship on human serum paraoxonase (PON1) using substrate analogues and inhibitors. Bioorganic & medicinal chemistry letters 20030519
Sodium phenylacetate inhibits adoptive transfer of experimental allergic encephalomyelitis in SJL/J mice at multiple steps. Journal of immunology (Baltimore, Md. : 1950) 20030401
Lack of association between serum paraoxonase 1 activities and increased oxidized low-density lipoprotein levels in impaired glucose tolerance and newly diagnosed diabetes mellitus. The Journal of clinical endocrinology and metabolism 20030401
Cytokine regulation by peroxisome proliferator-activated receptor gamma in human endometrial cells. Fertility and sterility 20030301
Paraoxonase and susceptibility to organophosphorus poisoning in farmers dipping sheep. Pharmacogenetics 20030201
Phenylacetate inhibits growth and modulates cell cycle gene expression in renal cancer cell lines. Anticancer research 20030101
Design of catabolic cassettes for styrene biodegradation. Antonie van Leeuwenhoek 20030101
4-Fluoro-N-butylphenylacetamide: a synthetic phenylacetate derivative that upregulates Bcl-X(S), activates caspase cascade and induces apoptosis in human squamous lung cancer CH27 cells. Cancer letters 20021205
Metabolic physiology of aroma-producing Kluyveromyces marxianus. Yeast (Chichester, England) 20021101
beta-Cell adaptation to insulin resistance. Increased pyruvate carboxylase and malate-pyruvate shuttle activity in islets of nondiabetic Zucker fatty rats. The Journal of biological chemistry 20021018
Arginine 165/arginine 277 pair in (S)-mandelate dehydrogenase from Pseudomonas putida: role in catalysis and substrate binding. Biochemistry 20021015
Development and substantiation of a liquid chromatographic method for monitoring organic reactions involved in synthesis of 4-methoxyphenylacetic acid. Journal of chromatography. A 20021004
Successful treatment of severe hyperammonemia using sodium phenylacetate powder prepared in hospital pharmacy. Biological & pharmaceutical bulletin 20020901
Monitoring of enzymatic hydrolysis of penicillin G by pyrolysis-negative ion mass spectrometry. Journal of pharmaceutical and biomedical analysis 20020701
Polarization IR spectra of the hydrogen bond in phenylacetic acid crystals: H/D isotopic effects temperature and polarization effects. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20020701
Molecular analysis of aerobic phenylacetate degradation in Azoarcus evansii. Molecular genetics and genomics : MGG 20020701
Identification of phenylbutyrylglutamine, a new metabolite of phenylbutyrate metabolism in humans. Journal of mass spectrometry : JMS 20020601
Effects of cryopreservation and phenylacetate on biological characters of adherent LAK cells from patients with hepatocellular carcinoma. World journal of gastroenterology 20020415
Aponecrotic, antiangiogenic and antiproliferative effects of a novel dextran derivative on breast cancer growth in vitro and in vivo. British journal of pharmacology 20020401
The role of hydrophobic active-site residues in substrate specificity and acyl transfer activity of penicillin acylase. European journal of biochemistry 20020401
Induction and repression of the sty operon in Pseudomonas putida CA-3 during growth on phenylacetic acid under organic and inorganic nutrient-limiting continuous culture conditions. FEMS microbiology letters 20020305
[Up regulation of phenylacetate to glioma homeobox gene expression]. Zhonghua zhong liu za zhi [Chinese journal of oncology] 20020301
Structure-activity relationships of novel anti-malarial agents. Part 3: N-(4-acylamino-3-benzoylphenyl)-4-propoxycinnamic acid amides. Bioorganic & medicinal chemistry letters 20020225
Investigations into tumor accumulation and peroxisome proliferator activated receptor binding by F-18 and C-11 fatty acids. Nuclear medicine and biology 20020201
Pheromone components of the wheat stem sawfly: identification, electrophysiology, and field bioassay. Journal of chemical ecology 20020201
Growth inhibition of human melanoma tumor cells by the combination of sodium phenylacetate (NaPA) and substituted dextrans and one NaPA-dextran conjugate. Anti-cancer drugs 20020101
Aromatic amino acid biosynthesis and production of related compounds from p-hydroxyphenylpyruvic acid by rumen bacteria, protozoa and their mixture. Amino acids 20020101
Assay of serum arylesterase activity by fitting to the reaction curve with an integrated rate equation. Clinica chimica acta; international journal of clinical chemistry 20011201
Phenylacetate enhances the antiproliferative effect of retinoic acid in follicular thyroid cancer. Surgery 20011201
Trifluoromethyl ketone-based inhibitors of apoptosis in cerebellar granule neurons. Biological & pharmaceutical bulletin 20011101
A chemostat culture as a tool for the improvement of a recombinant E. coli strain over-producing penicillin G acylase. Biotechnology and bioengineering 20011005
Oxygen dependency of monoamine oxidase activity in the intact lung. American journal of physiology. Lung cellular and molecular physiology 20011001
Phenylethylamine, a possible link to the antidepressant effects of exercise? British journal of sports medicine 20011001
A Phase I clinical and pharmacological evaluation of sodium phenylbutyrate on an 120-h infusion schedule. Clinical cancer research : an official journal of the American Association for Cancer Research 20011001
Inhibition of estrogen-dependent breast cell responses with phenylacetate. International journal of cancer 20010901
Sodium phenylacetate enhances the inhibitory effect of dextran derivative on breast cancer cell growth in vitro and in nude mice. British journal of cancer 20010901
A phase I dose escalation and bioavailability study of oral sodium phenylbutyrate in patients with refractory solid tumor malignancies. Clinical cancer research : an official journal of the American Association for Cancer Research 20010801
Effects of 5' regulatory-region polymorphisms on paraoxonase-gene (PON1) expression. American journal of human genetics 20010601
Differentiation of human neuroblastoma by phenylacetate is mediated by peroxisome proliferator-activated receptor gamma. Cancer research 20010515
Pharmacokinetics and cerebrospinal fluid penetration of phenylacetate and phenylbutyrate in the nonhuman primate. Cancer chemotherapy and pharmacology 20010501
Could 99mTc-MIBI be used to visualize the apoptotic MCF7 human breast cancer cells? Cellular and molecular biology (Noisy-le-Grand, France) 20010501
Transcriptional regulation of styrene degradation in Pseudomonas putida CA-3. Microbiology (Reading, England) 20010401
Decreased stability of the M54 isoform of paraoxonase as a contributory factor to variations in human serum paraoxonase concentrations. Journal of lipid research 20010401
Prostate cancer prevention strategies using antiproliferative or differentiating agents. Urology 20010401
Magnetic resonance pharmacoangiography to detect and predict chemotherapy delivery to solid tumors. Cancer research 20010401
Expression of penicillin G acylase from the cloned pac gene of Escherichia coli ATCC11105. Effects of pacR and temperature. European journal of biochemistry 20010301
Phenylacetate pharmacokinetics based on iterative two-stage population analysis. Pharmacotherapy 20010301
Decrease of breast cancer cell invasiveness by sodium phenylacetate (NaPa) is associated with an increased expression of adhesive molecules. British journal of cancer 20010301
Quantification of benzoic, phenylacetic, and phenylbutyric acids from filter-paper blood spots by gas chromatography--mass spectrometry with stable isotope dilution. Clinical chemistry 20010201
Suppression of tumourigenicity, and induction of differentiation of the canine mammary tumour cell line MCM-B2 by sodium phenylacetate. Research in veterinary science 20010201
Suppression of depleted uranium-induced neoplastic transformation of human cells by the phenyl fatty acid, phenyl acetate: chemoprevention by targeting the p21RAS protein pathway. Radiation research 20010101
Current strategies for the management of neonatal urea cycle disorders. The Journal of pediatrics 20010101
Alternative pathway therapy for urea cycle disorders: twenty years later. The Journal of pediatrics 20010101
Directed control of electroosmotic flow in nonaqueous electrolytes using poly(ethylene glycol) coated capillaries. Electrophoresis 20010101
Penicillin productivity and glutathione-dependent detoxification of phenylacetic and phenoxyacetic acids in Penicillium chrysogenum. Journal of basic microbiology 20010101
The glutathione metabolism of the beta-lactam producer filamentous fungus Penicillium chrysogenum. Acta microbiologica et immunologica Hungarica 20010101
[Determination of degraded products of penicillin by high performance liquid chromatography]. Se pu = Chinese journal of chromatography 20010101
Enzymology of oxidation of tropic acid to phenylacetic acid in metabolism of atropine by Pseudomonas sp. strain AT3. Journal of bacteriology 19970201
Long-term treatment of girls with ornithine transcarbamylase deficiency. The New England journal of medicine 19960919
Late clinical presentation of partial carbamyl phosphate synthetase I deficiency. American journal of diseases of children (1960) 19930301
Effect of sodium benzoate and sodium phenylacetate on brain serotonin turnover in the ornithine transcarbamylase-deficient sparse-fur mouse. Pediatric research 19880401
Treatment of episodic hyperammonemia in children with inborn errors of urea synthesis. The New England journal of medicine 19840621

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