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Chemical structure of Safracin B

GB40356

Safracin B

Also known as (2S)-2-amino-N-[[(1S,2S,10R,12S,13R)-12,19-dihydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),16,18-pentaen-10-yl]methyl]propanamide

Safracin B (87578-99-2) is a novel antibiotic of the saframycin family produced by Pseudomonas fluorescens· Safracin B displays antitumor activity against L1210 and P388 leukemias and B16 melanoma· Compared with safracin A, the toxic and effective doses were much lower· Safracin B also prolonged the life of tumor-bearing mice to a greater extent than safracin A

ChemicalCAS87578-99-2MW540.61FormulaC28H36N4O7
CAS number
87578-99-2
Molecular weight
540.61
Formula
C28H36N4O7
InChIKey
GKUZBRIJGIGFKC-XPXFATIHSA-N
Catalogue number
GB40356
Brand
GLPBIO
Computed properties PubChem CID 160294 · XLogP 0.3 · TPSA 155 Ų · H-bond donors 4
XLogP
0.3
TPSA
155 Ų
H-bond donors
4
H-bond acceptors
10
Rotatable bonds
5
Heavy atoms
39

SMILES CC1=CC2=C([C@H]3[C@@H]4CC5=C([C@@H](N4[C@H]([C@@H](C2)N3C)O)CNC(=O)[C@H](C)N)C(=O)C(=C(C5=O)C)OC)C(=C1OC)O

Computed descriptors from PubChem (CID 160294), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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