(5S,6R,7R,9R)-6-methoxy-5-methyl-7-methylamino-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one
[CAS 308079-78-9]

Identification

• Name: (5S,6R,7R,9R)-6-methoxy-5-methyl-7-methylamino-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one
• Synonyms: Cbiol_001978; Bio1_000753; Bio1_000264
• Molecular Formula: C₂₈H₂₆N₄O₃
• Molecular Weight: 466.54
• CAS Registry Number: 308079-78-9
• SMILES: [N]47C3=C2[N](C1=CC=CC=C1C2=C6C(=C3C5=C4C=CC=C5)CNC6=O)[C@@H]8O[C@]7([C@H](OC)[C@H](NC)C8)C
• InChI: 1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
• InChIKey: HKSZLNNOFSGOKW-FYTWVXJKSA-N

Properties

• Density: 1.562g/cm³ (Cal.)
• Boiling point: 677.523°C at 760 mmHg (Cal.)
• Flash point: 363.553°C (Cal.)
• solubility: Soluble to 50 mM in DMSO

References

• (1): Hakkim et al.. Activation of the Raf-MEK-ERK pathway is required for neutrophil extracellular trap formation, Nature Chemical Biology, 2010