Valproic acid (sodium) , CAS No.1069-66-5

CAS: 1069-66-5 Cat. No.: V1372220-GMP Molecular Weight: 166.2 EC Number: 213-961-8 PubChem CID: 16760703

Storage

Room temperature

Shipped In

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Overview

Valproic acid (Sodium Valproate) sodium is an orally active HDAC inhibitor, with IC50 in the range of 0.5 and 2 mM, also inhibits HDAC1 (IC50, 400 μM), and induces proteasomal degradation of HDAC2. Valproic acid sodium activates Notch1 signaling and inhibits proliferation in small cell lung cancer (SCLC) cells. Valproic acid sodium is used in the treatment of epilepsy, bipolar disorder, metabolic disease, HIV infection and prevention of migraine headaches.

Specifications

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: CCCC(CCC)C(=O)[O-].[Na+]
• IUPAC Name: sodium;2-propylpentanoate
• InChIKey: AEQFSUDEHCCHBT-UHFFFAOYSA-M
• INCHI: 1S/C8H16O2.Na/c1-3-5-7(6-4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1
• Isomeric SMILES: CCCC(CCC)C(=O)[O-].[Na+]
• WGK Germany: 3
• RTECS: YV7876000
• PubChem CID: 16760703
• Molecular Weight: 166.2
• Reaxy-Rn: 4212221

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acids and conjugates
• Alternative Parents: Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid - 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 - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty acids and conjugates. These are aliphatic monocarboxylic acids with a saturated or unsaturated aliphatic tail (with at least 4 Carbon atoms).
• 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

References

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6. Yang Zhao, Feiya Zhu, Jiayu Xie, Yiting Wang, Motlalepula Matsabisa, Minke Tang.  (2025)  Panax notoginseng Flower Extract Attenuates Pentylenetetrazole-Induced Epilepsy by Restoring Glutamate Homeostasis.  Brain Sciences,  15  (10): (1110).  [PMID:41154204] [10.3390/brainsci15101110]

7. Xin Gao, Xinjia Li, Yuanteng Zheng, Lijie Xia, Haonan Li, Yuqing Li, Attila Sik, Kechun Liu, Meng Jin.  (2025)  Rapid antiepileptic activity identification of isopimpinellin using a multi-model of epilepsy based on behavior-biomarker-BBB screening pipeline.  PHYTOMEDICINE,      [PMID:41351986] [10.1016/j.phymed.2025.157636]

8. Xiangxi Meng, Yumo Tian, Sen Hu, Lili Wang, Yuxian Zhong, Kui Sun, Minghua Du.  (2026)  The protective effect of sodium valproate on rats with severe scald combined with seawater immersion.  EUROPEAN JOURNAL OF MEDICAL RESEARCH,      [PMID:41709307] [10.1186/s40001-026-04043-2]