CAS 515-13-9|beta-elemene

Introduction：Basic information about CAS 515-13-9|beta-elemene, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. beta-elemene BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Synonyms

Common Name	beta-elemene
CAS Number	515-13-9	Molecular Weight	204.35100
Density	0.862g/cm3	Boiling Point	252.1ºC at 760mmHg
Molecular Formula	C₁₅H₂₄	Melting Point	/
MSDS	USA	Flash Point	98.3ºC

Names

Name	β-ELEMENE 82%
Synonym	More Synonyms

beta-elemene BiologicalActivity

Description	β-Elemene ((-)-β-Elemene; Levo-β-elemene) is isolated from natural plant Curcuma wenyujin with an antitumor activity. β-Elemene can induce cell apoptosis.
Related Catalog	Signaling Pathways >>Apoptosis >>ApoptosisResearch Areas >>Cancer
In Vitro	β-Elemene (0-200 µg/ml; 24 hours) shows IC50 values of 72.8 µg/ml; 47.4 µg/ml; 61.5 µg/ml; 3.661 µg/ml; 68 µg/ml; 72.12 µg/ml; 37.894 µg/ml and 37.703 µg/ml for SV-HUC-1, T24, 5637, TCCSUP, J82,UMUC-3,RT4, and SW780 cells, respectively[1]. β-Elemene (0-75 µg/ml; 24 hours) decreases cell number from 50 µg/ml and is notably decreased at 75 µg/ml, induces dose-dependent G1-phase arrest in T24cells and significantly reduces the percentage of cells in the S-phase [1]. β-Elemene (50 µg/ml; 12 hours) downregulates the expression levels of p-STAT3 and the cell cycle-related proteins cyclin D1, CDK4 and CDK6, and upregulates p21 and p27expression in T24 cells [1]. β-Elemene (50 µg/ml; 24 hours) enhances cisplatin-induced apoptosis by activating the ROS-AMPK signaling pathway[1]. Cell Viability Assay[2] Cell Line: T24, 5637, TCCSUP, J82, UM-UC-3, RT4 and SW780 cells Concentration: 0, 6.25, 12.5, 25, 50, 100, 150 and 200 µg/ml Incubation Time: 24 hours Result: Inhibited the proliferation of RT4, SW780, J82, UMUC-3, TCCSUP, 5637 and T24 human bladder cancer cells and SV-HUC-1 human urothelial cells. Cell Cycle Analysis[2] Cell Line: T24 and 5637 cells Concentration: 0, 25, 50 and 75 µg/ml Incubation Time: 24 hours Result: Induced the percentage of cells in the S-phase as a dose-dependent manner. Western Blot Analysis[2] Cell Line: T24 cells Concentration: 50 µg/ml Incubation Time: 24 hours Result: Downregulated p-STAT3 and cell cycle-related proteins.
References	[1]. Ross, S.A., and ElSohly, M.A. The volatile oil composition of fresh and air-dried buds of Cannabis sativa. J. Nat. Prod. 59(1), 49-51 (1996). [2]. Gan D, et al. β-elemene enhances cisplatin-induced apoptosis in bladder cancer cells through the ROS-AMPK signaling pathway.Oncol Lett. 2020 Jan;19(1):291-300.

Chemical & Physical Properties

Density	0.862g/cm3
Boiling Point	252.1ºC at 760mmHg
Molecular Formula	C₁₅H₂₄
Molecular Weight	204.35100
Flash Point	98.3ºC
Exact Mass	204.18800
LogP	4.74720
Index of Refraction	1.501
Storage condition	2-8°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GU9660000

CHEMICAL NAME :: Cyclohexane, 2,4-diisopropenyl-1-methyl-1-vinyl-, (1S,2R,4R)-(-)-

CAS REGISTRY NUMBER :: 515-13-9

LAST UPDATED :: 198303

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C15-H24

MOLECULAR WEIGHT :: 204.39

WISWESSER LINE NOTATION :: L6TJ A1U1 A1 BY1&U1 DY1&U1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 279 mg/kg

TOXIC EFFECTS :: Tumorigenic - active as anti-cancer agent

REFERENCE :: CYTPDT Zhongyao Tongbao. Bulletin of Chinese Materia Medica. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1-13, 1955-88 Suspended 1960-80(?). For Publisher information, see ZZZAE3 Volume(issue)/page/year: 6(6),32,1981

Safety Information

Supplemental HS	Repeated exposure may cause skin dryness or cracking.
Risk Phrases	66
RIDADR	NONH for all modes of transport
RTECS	GU9660000
HS Code	2902199090

Customs

HS Code	2902199090
Summary	2902199090 other cyclanes, cyclenes and cyclotherpenes。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0%

Synonyms

(5S,7R,10S)-(-)-1-methyl-1-vinyl-2,4-diisopropenyl-cyclohexane

(1S,2S,4R)-1-methyl-1-vinyl-2,4-diisopropenylcyclohexane

C15 H24,Cyclohexan,1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)

(1S,2S,4R)-1-Ethenyl-1-methyl-2,4-bis(1-methylethenyl)cyclohexane

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