4-fenilbutirato de sodio - ≥98% , Glutamine sequestering agent, CAS No.1716-12-7, Glutamine sequestering agent

CAS: 1716-12-7 Cat. No.: S305161 Peso molecular: 186.18 Número EC: 605-612-7 PubChem CID: 5258

GRADE & PURITY ≥98%

Synonyms

4-PBA | HMS2089B22 | NT6K61736T | Sodium phenylbutyrate [USAN] | sodium;4-phenylbutanoate | Buphenyl (TN) | O0511 | RELYVRIO COMPONENT SODIUM PHENYLBUTYRATE | SODIUM PHENYLBUTYRATE COMPONENT OF RELYVRIO | J-010746 | SODIUM PHENYLBUTYRATE [USP-RS] | SODIUM

Storage

Temperatura ambiente,Desecado

Shipped In

Normal

Specifications

Sinónimos

4-PBA | HMS2089B22 | NT6K61736T | Sodium phenylbutyrate [USAN] | sodium;4-phenylbutanoate | Buphenyl (TN) | O0511 | RELYVRIO COMPONENT SODIUM PHENYLBUTYRATE | SODIUM PHENYLBUTYRATE COMPONENT OF RELYVRIO | J-010746 | SODIUM PHENYLBUTYRATE [USP-RS] | SODIUM

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Inhibidor de la histona deacetilasa (HDAC). Capaz de inducir la apoptosis, la diferenciación y promover la maduración de una variedad de células malignas. Inhibe la proliferación de células de glioma.

Condiciones de almacenamiento de almacenamiento

Temperatura ambiente, Desecado

Enviado en

Normal

Tipo de acción

SEQUESTERING AGENT

Mecanismo de acción

Glutamine sequestering agent

Nota

Siempre que sea posible, prepare y utilice las soluciones el mismo día. Sin embargo, si necesita preparar soluciones madre con antelación, le recomendamos que almacene la solución como alícuotas en viales herméticamente cerrados a -20°C. Por lo general, podrán utilizarse durante un mes. Antes de su uso, y antes de abrir el vial, le recomendamos que deje que el producto se equilibre a temperatura ambiente durante al menos 1 hora. ¿Necesita más consejos sobre solubilidad, uso y manipulación? Visite nuestra página de preguntas frecuentes (FAQ) para obtener más información.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488179889
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488179889
• Sonrisas canónicas: C1=CC=C(C=C1)CCCC(=O)[O-].[Na+]
• IUPAC Name: sodium;4-phenylbutanoate
• InChIKey: VPZRWNZGLKXFOE-UHFFFAOYSA-M
• INCHI: 1S/C10H12O2.Na/c11-10(12)8-4-7-9-5-2-1-3-6-9;/h1-3,5-6H,4,7-8H2,(H,11,12);/q;+1/p-1
• Isómeros SMILES: C1=CC=C(C=C1)CCCC(=O)[O-].[Na+]
• PubChem CID: 5258
• Peso molecular: 186.18

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Carboxylic acid salt - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• External Descriptors: organic sodium salt

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

A498 (42825 Activities)

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ACHN (49357 Activities)

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CCRF-CEM (65223 Activities)

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HT-29 (80576 Activities)

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K562 (73714 Activities)

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KM12 (47707 Activities)

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M14 (47487 Activities)

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MCF7 (126967 Activities)

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MOLT-4 (49676 Activities)

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OVCAR-3 (48710 Activities)

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OVCAR-4 (44535 Activities)

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OVCAR-5 (45555 Activities)

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OVCAR-8 (47708 Activities)

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PC-3 (62116 Activities)

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RPMI-8226 (44974 Activities)

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RXF 393 (41971 Activities)

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SF-295 (48000 Activities)

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SK-MEL-2 (46422 Activities)

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SK-MEL-28 (48833 Activities)

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SK-MEL-5 (47095 Activities)

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SK-OV-3 (52876 Activities)

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SN12C (47755 Activities)

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SNB-19 (46794 Activities)

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TK-10 (45540 Activities)

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U-251 (51189 Activities)

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U-937 (7138 Activities)

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UACC-257 (46019 Activities)

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UACC-62 (47335 Activities)

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UO-31 (46270 Activities)

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786-0 (47912 Activities)

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A549 (127892 Activities)

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NCI/ADR-RES (33767 Activities)

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T47D (39041 Activities)

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EKVX (44102 Activities)

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HCC 2998 (41480 Activities)

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HOP-92 (41141 Activities)

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Hs-578T (29457 Activities)

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NCI-H460 (60772 Activities)

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SF-268 (49410 Activities)

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IGROV-1 (47897 Activities)

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LOX IMVI (44321 Activities)

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HOP-62 (47048 Activities)

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MDA-MB-435 (38290 Activities)

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MDA-N (28205 Activities)

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MDA-MB-231 (73002 Activities)

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SNB-75 (44215 Activities)

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NCI-H226 (44470 Activities)

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Objetivos asociados (no humanos)

Hdac1 Histone deacetylase 1 (93 Activities)

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HD1 Histone deacetylase (38 Activities)

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Mus musculus (284745 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Serum (58 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water
• Peso molecular: 186.180 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 186.066 Da
• Monoisotopic Mass: 186.066 Da
• Topological Polar Surface Area: 40.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 142.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

Referencias

1. Ting Xiao, Yuan Zhi, Fangfang Tian, Feilong Huang, Xingyan Cheng, Ai Wu, Ling Tao, Zhenghong Guo, Xiangchun Shen.  (2023)  Ameliorative effect of black raspberry anthocyanins on diabetes retinopathy by inhibiting axis protein tyrosine phosphatase 1B-endoplasmic reticulum stress.  Journal of Functional Foods,      [PMID:] [10.1016/j.jff.2023.105696]

2. Jing Cong, Yuehui Zhang, Xinming Yang, Yu Wang, Hui He, Mengying Wang.  (2022)  Anti-polycystic ovary syndrome effect of electroacupuncture: IMD inhibits ER stress-mediated apoptosis and autophagy in granulosa cells.  BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS,      [PMID:36244114] [10.1016/j.bbrc.2022.10.030]

3. Renhui Huang, Qi Shi, Shutian Zhang, Hong Lin, Chengzhi Han, Xinyi Qian, Yijun Huang, Xiaorong Ren, Jiayuan Sun, Nana Feng, Chunmei Xia, Meng Shi.  (2022)  Inhibition of the cGAS-STING Pathway Attenuates Lung Ischemia/Reperfusion Injury via Regulating Endoplasmic Reticulum Stress in Alveolar Epithelial Type II Cells of Rats.  Journal of Inflammation Research,      [PMID:36091334] [10.2147/JIR.S365970]

4. Zexuan Li, Xinyue Deng, Yanna Cao, Hongbo Xu, Jiangang Wang, Lamei Yuan, Hao Deng.  (2025)  Different GJA8 missense variants reveal distinct pathogenic mechanisms in congenital cataract.  LIFE SCIENCES,      [PMID:40158616] [10.1016/j.lfs.2025.123596]

5. Cao Ting, Wang Xue-lian, Rao Jiang-yan, Zhu Hui-feng, Qi Hong-yi, Tian Zhen.  (2024)  Periplaneta americana L. extract exerts neuroprotective effects by inhibiting endoplasmic reticulum stress via AKT-dependent pathway in experimental models of Parkinson’s disease.  Chinese Medicine,  19  (1): (1-24).  [PMID:39538357] [10.1186/s13020-024-01029-2]