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[Methyl (3S,4S,21R)-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]oxy}propyl)-9-vinyl-21-phorbinecarboxylatato(2-)-kappa~2~N,N']magnesium(CAS: 479-61-8)

[Methyl (3S,4S,21R)-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]oxy}propyl)-9-vinyl-21-phorbinecarboxylatato(2-)-kappa~2~N,N']magnesium
CAS Number

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Basic Information

Molecular Formula
C55H72MgN4O5
Molecular Weight
893.51 g/mol

Physical Properties

Melting Point
117-120°

Chemical Identifiers

SMILES
CCC\1=C(c2/cc\3/c(c(c4/n3[Mg]n5c(/cc1\n2)c(c6c5/c(c/7\nc(\c4)[C@H]([C@@H]7CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)/[C@H](C6=O)C(=O)OC)C)C)C=C)C
InChIKey
ATNHDLDRLWWWCB-AENOIHSZSA-M

Database References

MDL Number
MFCD00079050

FAQ

Methyl (3S,4S,21R)-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]oxy}propyl)-9-vinyl-21-phorbinecarboxylatato(2-)-kappa~2~N,N'magnesium (CAS: 479-61-8) is a crystalline compound with a molecular weight of approximately 1200 g/mol. It is poorly soluble in water but has good solubility in organic solvents like methanol and ethanol. The compound is reactive and can undergo various transformations under certain conditions. It has a melting point of around 250°C and is stable under normal laboratory conditions.
Methyl (3S,4S,21R)-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]oxy}propyl)-9-vinyl-21-phorbinecarboxylatato(2-)-kappa~2~N,N'magnesium (CAS: 479-61-8) is synthesized through a multi-step process involving alkylation, cyclization, and carboxylation reactions. Catalysts such as boron trifluoride and sodium hydroxide are commonly used. The synthesis typically yields a mixture of isomers, with the desired product being isolated by chromatography.
Methyl (3S,4S,21R)-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]oxy}propyl)-9-vinyl-21-phorbinecarboxylatato(2-)-kappa~2~N,N'magnesium (CAS: 479-61-8) is predominantly used in the pharmaceutical industry for its potential as an anti-inflammatory agent. It is also explored in the cosmetic industry for its skin-protecting properties and in research for its biological activities. However, its specific applications are limited due to its complex structure and synthesis requirements.
When handling Methyl (3S,4S,21R)-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]oxy}propyl)-9-vinyl-21-phorbinecarboxylatato(2-)-kappa~2~N,N'magnesium (CAS: 479-61-8), it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or fume hood to avoid inhalation. Spills should be handled carefully, using appropriate absorbents, and the area should be cleaned thoroughly. Refer to the Safety Data Sheet (SDS) for specific handling instructions and emergency procedures.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

Contact Information

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Gong Siyu

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