CAS 176520-13-1|Scutebarbatine A

Introduction：Basic information about CAS 176520-13-1|Scutebarbatine A, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Scutebarbatine A BiologicalActivity
3. Chemical & Physical Properties
4. Safety Information
5. Synonyms

Common Name	Scutebarbatine A
CAS Number	176520-13-1	Molecular Weight	558.62
Density	1.3±0.1 g/cm3	Boiling Point	742.1±60.0 °C at 760 mmHg
Molecular Formula	C₃₂H₃₄N₂O₇	Melting Point	/
MSDS	/	Flash Point	402.6±32.9 °C

Names

Name	(1R,2S,3R,4R,4aS,8aR)-3-Hydroxy-3,4,8,8a-tetramethyl-4-[(E)-2-(5- oxo-2,5-dihydro-3-furanyl)vinyl]-1,2,3,4,4a,5,6,8a-octahydronapht halene-1,2-diyl dinicotinate
Synonym	More Synonyms

Scutebarbatine A BiologicalActivity

Description	Scutebarbatine A inhibits the proliferation of HCC cells and triggers their apoptosis via the activation of MAPK and ER stress[1].
Related Catalog	Research Areas >>CancerSignaling Pathways >>Others >>Others
References	[1]. Feng PP, et al. Scutebarbatine A induces cytotoxicity in hepatocellular carcinoma via activation of the MAPK and ER stress signaling pathways. J Biochem Mol Toxicol. 2021;35(5):e22731.

Chemical & Physical Properties

Density	1.3±0.1 g/cm3
Boiling Point	742.1±60.0 °C at 760 mmHg
Molecular Formula	C₃₂H₃₄N₂O₇
Molecular Weight	558.62
Flash Point	402.6±32.9 °C
Exact Mass	558.236572
PSA	124.91000
LogP	4.01
Vapour Pressure	0.0±2.6 mmHg at 25°C
Index of Refraction	1.619
InChIKey	CFCKNUOZCOKYOO-JUJIBZTHSA-N
SMILES	CC1=CCCC2C1(C)C(OC(=O)c1cccnc1)C(OC(=O)c1cccnc1)C(C)(O)C2(C)C=CC1=CC(=O)OC1

Safety Information

Hazard Codes	Xi

Synonyms

3-Pyridinecarboxylic acid, (1R,2S,3R,4R,4aS,8aR)-4-[(E)-2-(2,5-dihydro-5-oxo-3-furanyl)ethenyl]-1,2,3,4,4a,5,6,8a-octahydro-3-hydroxy-3,4,8,8a-tetramethyl-1,2-naphthalenediyl ester

(1R,2S,3R,4R,4aS,8aR)-3-Hydroxy-3,4,8,8a-tetramethyl-4-[(E)-2-(5-oxo-2,5-dihydro-3-furanyl)vinyl]-1,2,3,4,4a,5,6,8a-octahydronaphthalene-1,2-diyl dinicotinate

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