Spisulosine

Catalog NumberBL-M000971
CAS Number196497-48-0
DescriptionSpisulosine, also known as ES-285, is novel compound derived from the marine mollusk Spisula polynoma with evidence of preclinical antitumor activity. Phase I clinical trial results: Dose level VIII (200 mg/m(2)) was considered the MTD, and dose level IX (160 mg/m(2)) was defined as the RD. Limited antitumor activity was observed.
IUPAC Name(2S,3R)-2-aminooctadecan-3-ol
Synonyms1-deoxysphinganine (m18:0); ES-285; ES 285; ES285; 1-deoxy SA; (2S,3R)-2-amino-3-hydroxy-octadecane; (+)-Spisulosine; 3-Octadecanol, 2-amino-, (R-(R*,S*))-; (2S,3R)-2-amino-3-octadecanol; 2S-amino-3R-octadecanol
Molecular Weight285.51
Molecular FormulaC18H39NO
Boiling Point405.3±18.0°C (Predicted)
Melting Point115-116°C
Purity>99%
Density0.871±0.06 g/cm3 (Predicted)
SolubilitySoluble in DMF (10 mg/mL), DMSO (2 mg/mL), Ethanol (miscible)
AppearanceCrystalline Solid
Shelf Life1 Year
StorageStore at -20°C
Percent CompositionC 75.72%, H 13.77%, N 4.91%, O 5.60
Canonical SMILESCCCCCCCCCCCCCCCC(C(C)N)O
InChIInChI=1S/C18H39NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19/h17-18,20H,3-16,19H2,1-2H3/t17-,18+/m0/s1
InChI KeyYRYJJIXWWQLGGV-ZWKOTPCHSA-N

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