Shanghai Nianxing Industrial Co., Ltd
China
Product Name: 2-Pyrrolidinone
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Dayang Chem (Hangzhou) Co., Ltd.
China
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Henan Tianfu Chemical Co., Ltd.
China
Product Name: pyrrolidin-2-one
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Taiwan Oyi peptide Co. Ltd
China
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616-45-5

616-45-5 structure

Name: 2-Pyrrolidinone
Chemical Name: pyrrolidin-2-one
CAS Number: 616-45-5
Molecular Formula: C₄H₇NO
Molecular Weight: 85.104
Catalog: analytical chemistry Standard Pharmacopoeia Standards and Magazine Standards
Create Date: 2018-03-05 08:00:00
Modify Date: 2024-01-02 12:12:50
2-Pyrrolidinone is an active compound present in Brassica oleracea var. capitata and displays anticancer property.

Name	pyrrolidin-2-one
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

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.

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
Storage condition	2-8°C
Water Solubility	miscible

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UY5715000

CHEMICAL NAME :: 2-Pyrrolidinone

CAS REGISTRY NUMBER :: 616-45-5

LAST UPDATED :: 199710

DATA ITEMS CITED :: 11

MOLECULAR FORMULA :: C4-H7-N-O

MOLECULAR WEIGHT :: 85.12

WISWESSER LINE NOTATION :: T5MVTJ

HEALTH HAZARD DATA

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)

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

Precursor 10
541-59-3 2226-88-2 123-56-8 2399-66-8
13325-10-5 5959-36-4 201230-82-2 107-11-9
14468-80-5 2455-04-1
DownStream 10
106412-40-2 110261-31-9 10466-75-8 31282-95-8
109071-38-7 3772-26-7 3470-99-3 3470-98-2
14468-80-5 143023-95-4

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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