| Identification | Back Directory | [Name]
cyanosafracin B | [CAS]
96996-50-8 | [Synonyms]
CBR28-1
cyanosafracin B
Cyanoquinonamine
Propanamide, 2-amino-N-[[(6S,7R,9R,14aS,15R)-7-cyano-6,7,9,10,13,14,14a,15-octahydro-1-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-10,13-dioxo-6,15-imino-5H-isoquino[3,2-b][3]benzazocin-9-yl]methyl]-, (2S)- | [Molecular Formula]
C29H35N5O6 | [MOL File]
96996-50-8.mol | [Molecular Weight]
549.62 |
| Chemical Properties | Back Directory | [Boiling point ]
776.2±60.0 °C(Predicted) | [density ]
1.39±0.1 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [form ]
Solid | [pka]
9.61±0.70(Predicted) | [color ]
Light yellow to yellow | [InChIKey]
BHINEHROXMLHMV-BVRLQDJESA-N | [SMILES]
C(NC[C@@H]1N2[C@@]([H])(CC3=C1C(=O)C(OC)=C(C)C3=O)[C@]1([H])N(C)[C@@]([H])(CC3=CC(C)=C(OC)C(O)=C31)[C@@H]2C#N)(=O)[C@@H](N)C |
| Hazard Information | Back Directory | [Uses]
Cyanosafracin B is a starting material for synthesis of Ecteinascidin ET-743 and Phthalascidin Pt-650[1]. | [References]
[1] Cuevas C, et, al. Synthesis of ecteinascidin ET-743 and phthalascidin Pt-650 from cyanosafracin B. Org Lett. 2000 Aug 10;2(16):2545-8. DOI:10.1021/ol0062502 |
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