Sodium 2-propylpentanoate structure
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Common Name | Sodium 2-propylpentanoate | ||
|---|---|---|---|---|
| CAS Number | 1069-66-5 | Molecular Weight | 166.193 | |
| Density | 1.0803 g/cm3 | Boiling Point | 220ºC at 760 mmHg | |
| Molecular Formula | C8H15NaO2 | Melting Point | 300 °C | |
| MSDS | Chinese USA | Flash Point | STABILITY | |
| Symbol |
GHS07 |
Signal Word | Warning | |
Use of Sodium 2-propylpentanoateValproic acid sodium salt is an anticonvulsants used to treat epilepsy, bipolar disorder and migraines. Valproic acid inhibits histone deacetylase 1 (HDAC1) with an IC50 of 0.4 mM. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | sodium valproate |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Valproic acid sodium salt is an anticonvulsants used to treat epilepsy, bipolar disorder and migraines. Valproic acid inhibits histone deacetylase 1 (HDAC1) with an IC50 of 0.4 mM. |
|---|---|
| Related Catalog | |
| Target |
HDAC1:400 μM (IC50) HDAC:0.5-2 mM (IC50) HDAC2 Autophagy Mitophagy |
| In Vitro | Valproic acid inhibits the growth dose- and time-dependently with an IC50 of appr 10 and 4 mM at 24 and 72 h, respectively. Valproic acid significantly attenuates the activities of total, cytosol and nuclear HDACs. Valproic acid increases the form of acetylated histone 3 in HeLa cells. Valproic acid (1-3 mM) induces a G1 phase arrest, while 10 mM Valproic acid significantly induces a G2/M phase arrest of cell cycle in HeLa cells. In addition, Valproic acid increases the percentage of sub-G1 cells in HeLa cells in a dose-dependent manner at 24 h[1]. Valproic acid inhibits the mRNA and protein expression of VEGF, VEGFR2 and bFGF. Valproic acid inhibits the protein expression of HDAC1, increases histone H3 acetylation, and enhances the accumulation of hyperacetylated histone H3 on VEGF promoters[2]. Valproic acid treatment results in increased levels of phosphorylated AMPK/ACC in primary mouse hepatocytes. Phosphorylation of ACC following Valproic acid treatment is AMPK-dependent. Valproic acid inhibits the deacetylase activity of both mouse liver nuclear extracts and human recombinant HDAC1 while of the metabolites of Valproic acid, only 2-ene-Valproic acid and 4-ene-Valproic acid diminish deacetylase activity[4]. |
| In Vivo | Valproic acid (500 mg/kg, i.p.) inhibits the tumor growth and angiogenesisin the mice transplanted with Kasumi-1 cells. The IR rate in the Valproic acid group is 57.25% at the end of the experiment[2]. Valproic acid (350 mg/kg, i.p.) demonstrates more social investigation and play fighting than control animals[3]. |
| Kinase Assay | The activity of caspase-3, -8 and -9 is assessed using the caspase-3, -8 and -9 colorimetric assay kits, respectively. In brief, 1×106 cells in a 60-mm culture dish are incubated with 10 mM Valproic acid for 24 h. The cells are then washed in PBS and suspended in 5 volumes of lysis buffer provided with the kit. Protein concentrations are determined using the Bradford method. Supernatants containing 50 μg total protein are used to determine caspase-3, -8 and -9 activities. The supernatants are added to each well in 96-well microtiter plates with DEVD-pNA, IETD-pNA or LEHD-pNA as caspase-3, -8 and -9 substrates and the plates are incubated at 37°C for 1 h. The optical density of each well is measured at 405 nm using a microplate reader. The activity of caspase-3, -8 and -9 is expressed in arbitrary absorbance units. |
| Cell Assay | In brief, 5×105 cells are seeded in 96-well microtiter plates for MTT assays. After exposure to the designated doses of Valproic acid for the indicated times, MTT solution [20 mL: 2 mg/mL in phosphate-buffered saline (PBS)] is added to each well of the 96-well plates. The plates are additionally incubated for 3 h at 37°C. Medium is withdrawn from the plates by pipetting and 200 mL DMSO is added to each well to solubilize the formazan crystals. The optical density is measured at 570 nm using a microplate reader. |
| Animal Admin | Splenectomies are performed on the BALB/c nude mice. One week after the splenectomies, the mice receiv whole body irradiation with 137Cs at a dose of 4 Gy. At 48-72 h post-irradiation, the mice are subcutaneously implanted with Kasumi-1 cells (2×107 cells/mouse with 0.15-0.2 mL) in the right axillary region. The mice are randomLy assigned to two groups, the Valproic acid (n=6) and control (n=6) groups. When the tumors are appr 200 mm3 in size at appr 10 days post-implantation, 0.2 mL Valproic acid (500 mg/kg body weight) or 0.2 mL saline is injected intraperitoneally every day. Valproic acid is dissolved in saline at a concentration of 25 mg/mL. The longest diameter (a) and the shortest diameter (b) of the tumor are measured every three days, and the tumor volume (TV) is calculated according to the following formula: TV=1/2×a×b2. Following two weeks of injections, the mice are sacrificed by cervical dislocation and the tumor masses are removed for the following experiments. |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.0803 g/cm3 |
|---|---|
| Boiling Point | 220ºC at 760 mmHg |
| Melting Point | 300 °C |
| Molecular Formula | C8H15NaO2 |
| Molecular Weight | 166.193 |
| Flash Point | STABILITY |
| Exact Mass | 166.096970 |
| PSA | 40.13000 |
| LogP | 0.95270 |
| Vapour Pressure | 0.0435mmHg at 25°C |
| InChIKey | AEQFSUDEHCCHBT-UHFFFAOYSA-M |
| SMILES | CCCC(CCC)C(=O)[O-].[Na+] |
| Storage condition | Desiccate at RT |
| Water Solubility | soluble |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
MUTATION DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H302 |
| Precautionary Statements | P301 + P312 + P330 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | T:Toxic |
| Risk Phrases | R22;R36/38;R61 |
| Safety Phrases | S36/37-S53-S45-S37/39-S26 |
| RIDADR | 2811 |
| WGK Germany | 3 |
| RTECS | YV7876000 |
| Packaging Group | III |
| Hazard Class | 6.1(b) |
| HS Code | 2915900090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~99%
Sodium 2-propyl... CAS#:1069-66-5 |
| Literature: SCI PHARMTECH, INC. Patent: US2011/40122 A1, 2011 ; Location in patent: Page/Page column 2 ; |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 1 | |
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| DownStream 1 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2915900090 |
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| Summary | 2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Stability of structured Kaposi's sarcoma-associated herpesvirus ORF57 protein is regulated by protein phosphorylation and homodimerization.
J. Virol. 89(6) , 3256-74, (2015) Kaposi's sarcoma-associated herpesvirus (KSHV) ORF57 plays an essential role in KSHV lytic infection by promoting viral gene expression at the posttranscriptional level. Using bioinformatic and bioche... |
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Developing structure-activity relationships for the prediction of hepatotoxicity.
Chem. Res. Toxicol. 23 , 1215-22, (2010) Drug-induced liver injury is a major issue of concern and has led to the withdrawal of a significant number of marketed drugs. An understanding of structure-activity relationships (SARs) of chemicals ... |
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A predictive ligand-based Bayesian model for human drug-induced liver injury.
Drug Metab. Dispos. 38 , 2302-8, (2010) Drug-induced liver injury (DILI) is one of the most important reasons for drug development failure at both preapproval and postapproval stages. There has been increased interest in developing predicti... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-Propylpentanoic acid,sodium salt |
| EINECS 213-961-8 |
| Sodium 2-propylvalerate |
| Depakin |
| Ergenyl |
| Epilim |
| 2-Propylpentanoic acid |
| MFCD00078604 |
| 2-Propylvaleric acid sodium salt |
| Sodium Valproate |
| Depakine |
| 2-Propylpentanoic Acid Sodium Salt |
| Depakene |
| Pentanoic acid, 2-propyl-, sodium salt (1:1) |
| sodium,2-propylpentanoate |
| Sodium 2-propylpentanoate |
| Valproic acid, sodium salt |
| DEPACON |
| Valproic acid sodium salt |
| 2-Propylpentanoic acid sodium |
| Valproate Sodium |
| UNII:5VOM6GYJ0D |
| Valproic acid (sodium salt) |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of sodium valproate? |
| A: Polar surface area (PSA) of sodium valproate is 40.13000. |
| Q: What is the LogP of sodium valproate? |
| A: LogP of sodium valproate is 0.95270. |
| Q: How is the water solubility of sodium valproate? |
| A: Water solubility of sodium valproate: soluble. |
| Q: What is the InChIKey of sodium valproate? |
| A: InChIKey of sodium valproate is AEQFSUDEHCCHBT-UHFFFAOYSA-M. |
| Q: What is the molecular weight of sodium valproate? |
| A: Molecular weight of sodium valproate is 166.193. |
| Q: What is the boiling point of sodium valproate? |
| A: Boiling point of sodium valproate is 220ºC at 760 mmHg. |
| Q: What is the English name of sodium valproate? |
| A: The English name of sodium valproate is sodium valproate. |
| Q: What is the molecular formula of sodium valproate? |
| A: Molecular formula of sodium valproate is C8H15NaO2. |
| Q: What are the downstream products of sodium valproate? |
| A: Related downstream products(CAS) of sodium valproate: 99-66-1. |
| Q: What is the melting point of sodium valproate? |
| A: Melting point of sodium valproate is 300 °C. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |
| Henan Tianfu Chemical Co., Ltd. |