CAS 616-45-5|2-Pyrrolidinone
Introduction：Basic information about CAS 616-45-5|2-Pyrrolidinone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-Pyrrolidinone | ||
|---|---|---|---|
| CAS Number | 616-45-5 | Molecular Weight | 85.104 |
| Density | 1.103 | Boiling Point | 250 ºC |
| Molecular Formula | C4H7NO | Melting Point | 25.5 ºC |
| MSDS | ChineseUSA | Flash Point | 138 ºC |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | pyrrolidin-2-one |
|---|---|
| Synonym | More Synonyms |
2-Pyrrolidinone BiologicalActivity
| Description | 2-Pyrrolidinone is an active compound present in Brassica oleracea var. capitata and displays anticancer property. |
|---|---|
| Related Catalog | Research Areas >>Cancer |
| Target | Human Endogenous Metabolite |
| In Vitro | Radical scavenging activity increases with increasing the amount of 2-Pyrrolidinone. The cytotoxicity of 2-Pyrrolidinone is found to be dose and time dependent, and the effect is observed microscopically in all of the selected cancer cell lines. It is observed that 2-Pyrrolidinone has cytotoxic concentrations of 2.5 mg/mL for HeLa, 3 mg/mL for PC-3 cells at 24 h and 1.5 mg/mL for HeLa and 2 mg/mL for PC-3 cells at 48 h, respectively. The cell viability decreases with increasing concentrations of purified 2-Pyrrolidinone. After treatment with 2-Pyrrolidinone their IC50 concentrations (1.5 mg/mL and 2 mg/mL for HeLa and PC-3 cells, respectively) for a period of 24 h, morphological changes in the cells are observed. It is demonstrated that 2-Pyrrolidinone induces apoptosis in HeLa and PC-3 cells via G0/G1phase of cell cycle arrest[1]. |
| Cell Assay | The inhibitory concentrations (IC50) are evaluated using an MTT assay. Cancer cells are grown (1×104 cells/well) in a 96-well plate for 48 h into 75% confluence. The medium is replaced with fresh medium containing concentration of (0.5 to 5 mg/mL) 2-Pyrrolidinone, and the cells are further incubated for 24 h and 48 h. The culture medium is removed, and 100 mL of the MTT solution is added to each well and incubated at 37°C for 4 h. After removal of the supernatant, 50 mL of DMSO is added to each of the wells and incubated for 10 min to solubilize the formazan crystals. The optical density is measured at 620 nm in an ELISA multi-well plate reader. The OD value is used to calculate the percentage of viability[1]. |
| References | [1]. Thangam R, et al. Antioxidant and in vitro anticancer effect of 2-pyrrolidinone rich fraction of Brassica oleracea var. capitata through induction of apoptosis in human cancer cells. Phytother Res. 2013 Nov;27(11):1664-70. |
Chemical & Physical Properties
| Density | 1.103 |
|---|---|
| Boiling Point | 250 ºC |
| Melting Point | 25.5 ºC |
| Molecular Formula | C4H7NO |
| Molecular Weight | 85.104 |
| Flash Point | 138 ºC |
| Exact Mass | 85.052765 |
| PSA | 29.10000 |
| LogP | -1.01 |
| Vapour density | 2.9 (vs air) |
| Vapour Pressure | 0.1±0.8 mmHg at 25°C |
| Index of Refraction | 1.486-1.488 |
| InChIKey | HNJBEVLQSNELDL-UHFFFAOYSA-N |
| SMILES | O=C1CCCN1 |
| Storage condition | 2-8°C |
| Water Solubility | miscible |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 8 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 160 mg/kg
- TOXIC EFFECTS :
- Behavioral - coma Lungs, Thorax, or Respiration - dyspnea
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 3700 mg/kg
- TOXIC EFFECTS :
- Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - respiratory depression Nutritional and Gross Metabolic - body temperature decrease
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 10 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 800 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 6500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
MUTATION DATA - TYPE OF TEST :
- Sex chromosome loss and nondisjunction
- TEST SYSTEM :
- Yeast - Saccharomyces cerevisiae
- DOSE/DURATION :
- 352200 umol/L
- REFERENCE :
- EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 11,31,1988 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - A1513 No. of Facilities: 465 (estimated) No. of Industries: 7 No. of Occupations: 15 No. of Employees: 2456 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - A1513 No. of Facilities: 35 (estimated) No. of Industries: 2 No. of Occupations: 3 No. of Employees: 1215 (estimated) No. of Female Employees: 260 (estimated)
- TYPE OF TEST :
- Sex chromosome loss and nondisjunction
- TEST SYSTEM :
- Yeast - Saccharomyces cerevisiae
- DOSE/DURATION :
- 352200 umol/L
- REFERENCE :
- EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 11,31,1988 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - A1513 No. of Facilities: 465 (estimated) No. of Industries: 7 No. of Occupations: 15 No. of Employees: 2456 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - A1513 No. of Facilities: 35 (estimated) No. of Industries: 2 No. of Occupations: 3 No. of Employees: 1215 (estimated) No. of Female Employees: 260 (estimated)
Safety Information
| Symbol | GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H319 |
| Precautionary Statements | P305 + P351 + P338 |
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
| Hazard Codes | Xn |
| Risk Phrases | 22 |
| Safety Phrases | S24/25 |
| RIDADR | 2810 |
| WGK Germany | 1 |
| RTECS | UY5715000 |
| Packaging Group | III |
| Hazard Class | 6.1(b) |
| HS Code | 2933790090 |
Customs
| HS Code | 2933790090 |
|---|---|
| Summary | 2933790090. other lactams. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:9.0%. General tariff:20.0% |
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Synonyms
| 2-Pyrrolidinone |
| 1-azacyclopentan-2-one |
| azacyclopentan-2-one |
| pyrrolidin-2-one |
| pyrrolidinone |
| 2-oxopyrrolidine |
| α-pyrrolidone |
| MFCD00005270 |
| Pyrrolidin-2-on |
| pyrrolidone |
| Tetrahydropyrrolone |
| 2-Pyrrolidone |
| EINECS 210-483-1 |
| Piracetam Impurity 1 |
