N-C12-desoxymethylsphingosine

Catalog NumberBL-M001071
CAS Number1246298-55-4
DescriptionN-C12-desoxymethylsphingosine is a synthetic analogue of sphingosine used as a modulator of ceramide biosynthesis. It has potential antineoplastic activity against various cancers, including leukemia, due to its ability to induce cell cycle arrest and trigger apoptotic cell death.
Structure
IUPAC NameN-[(E,2R)-2-hydroxyheptadec-3-enyl]dodecanamide
SynonymsN-lauroyl-1-desoxymethylsphingosine (m17:1/12:0); Dodecanamide, N-[(2R,3E)-2-hydroxy-3-heptadecen-1-yl]-; N-dodecanoyl-1-desoxymethylsphing-3-enine (m17:1/12:0); N-C12-1-desoxy; MeCer
Molecular Weight451.77
Molecular FormulaC29H57NO2
Boiling Point589.8±43.0 °C at 760 mmHg
Purity>99%
Density0.9±0.1 g/cm3
AppearancePowder
Shelf Life1 Year
StorageStore at -20°C
Percent CompositionC 77.10%, H 12.72%, N 3.10%, O 7.08%
Canonical SMILESCCCCCCCCCCCCCC=CC(CNC(=O)CCCCCCCCCCC)O
InChIInChI=1S/C29H57NO2/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-28(31)27-30-29(32)26-24-22-20-17-12-10-8-6-4-2/h23,25,28,31H,3-22,24,26-27H2,1-2H3,(H,30,32)/b25-23+/t28-/m1/s1
InChI KeyNQTIAYDGVUCKFJ-KSPVXFDASA-N

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