CAS 509-20-6|ACONINE

Introduction：Basic information about CAS 509-20-6|ACONINE, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. ACONINE BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Synonyms

Common Name	ACONINE
CAS Number	509-20-6	Molecular Weight	499.594
Density	1.4±0.1 g/cm3	Boiling Point	626.1±55.0 °C at 760 mmHg
Molecular Formula	C₂₅H₄₁NO₉	Melting Point	129-131ºC
MSDS	/	Flash Point	332.4±31.5 °C

Names

Name	Aconine
Synonym	More Synonyms

ACONINE BiologicalActivity

Description	Aconine inhibits receptor activator of nuclear factor (NF)-κB ligand (RANKL)-induced NF-κB activation.
Related Catalog	Research Areas >>Inflammation/ImmunologyNatural Products >>Alkaloid
Target	NF-κB
In Vitro	Treatment with Aconine significantly inhibits the RANKL-induced transcriptional activity of NF-κB in a dose-dependent manner. Aconine inhibits RANKL-induced osteoclast differentiation in RAW264.7 cells by suppressing the activation of NF-κB and NFATc1 and the expression of the cell-cell fusion molecule DC-STAMP. Aconine (0.125, 0.25 μM) does not affect the viability of RAW264.7 cells, but dose-dependently inhibits RANKL-induced osteoclast formation and bone resorptive activity. Aconine dose-dependently inhibits the RANKL-induced activation of NF-κB and NFATc1 in RAW264.7 cells, and subsequently reduces the expression of osteoclast-specific genes (c-Src, β3-Integrin, cathepsin K and MMP-9) and the expression of dendritic cell-specific transmembrane protein (DC-STAMP), which plays an important role in cell-cell fusion[1].
Cell Assay	To evaluate the effect of Aconine on the viability of RAW264.7 cells, cytotoxicity assays are performed using the Cell Counting Kit-8. Briefly, the cells are seeded in 96-well plates at a density of 2×104, 3×103, 1.2×103, 1×103 or 1×103 cells/well in the presence or absence of Aconine (0.125-0.5 mM) for 8 h, 24 h, 48 h, 5 d or 7 d, respectively. After incubating the cells with CCK-8 solution for 2 h, optical density is measured at 450 nm using a GENios microplate reader. Cell viability is expressed as a percentage of the control[1].
References	[1]. Zeng XZ, et al. Aconine inhibits RANKL-induced osteoclast differentiation in RAW264.7 cells by suppressing NF-κB and NFATc1 activation and DC-STAMP expression. Acta Pharmacol Sin. 2016 Feb;37(2):255-63.

Chemical & Physical Properties

Density	1.4±0.1 g/cm3
Boiling Point	626.1±55.0 °C at 760 mmHg
Melting Point	129-131ºC
Molecular Formula	C₂₅H₄₁NO₉
Molecular Weight	499.594
Flash Point	332.4±31.5 °C
Exact Mass	499.278137
PSA	141.31000
LogP	-1.63
Vapour Pressure	0.0±4.1 mmHg at 25°C
Index of Refraction	1.624
InChIKey	SQMGCPHFHQGPIF-YKTXZQQPSA-N
SMILES	CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(O)C5C(O)(C(O)C6OC)C(C(OC)C23)C14

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AR5560000

CHEMICAL NAME :: Aconitane-3,8,13,14,15-pentol, 20-ethyl-4-(methoxymethyl)-1,16,16-trimethoxy-, (1-alpha,3-alpha,6-alpha,14-alpha,15-alpha,16-beta)-

CAS REGISTRY NUMBER :: 509-20-6

BEILSTEIN REFERENCE NO. :: 0060864

LAST UPDATED :: 199612

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C25-H41-N-O9

MOLECULAR WEIGHT :: 499.67

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 374 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: YHHPAL Yaoxue Xuebao. Acta Pharmaceutica Sinica. Pharmaceutical Journal. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1- 1953- Suspended 1966-78. Volume(issue)/page/year: 19,641,1984

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 117 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: YHHPAL Yaoxue Xuebao. Acta Pharmaceutica Sinica. Pharmaceutical Journal. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1- 1953- Suspended 1966-78. Volume(issue)/page/year: 19,641,1984

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Mammal - cat

DOSE/DURATION :: 400 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 5,324,1955

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 275 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 5,324,1955

Synonyms

(1a,3a,6a,14a,15a,16b)-20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-3,8,13,14,15-pentol

ACONINE

Aconitane-3,8,13,14,15-pentol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, (1α,3α,6α,14α,15α,16β)-

(1α,3α,6α,14α,15α,16β)-20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-3,8,13,14,15-pentol

Jesaconine

Aconitysat

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