Compound ID | 494

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SJG-136

Synonym(s): NSC 694501  |  SJG 136  |  SJG136

Class: Small molecule antibacterial agent

Agent Type: Synthetic; Small molecule; Direct acting;
Spectrum of activity: Gram-positive
Mechanism of action: DNA synthesis inhibitor. DNA minor groove binder
Target Pathogen: Double stranded DNA cross linking agent this compound is not able to penetrate Gram negatives. In trials in rodents, the inhibitory concentrations are below maximum tolerated doses for MRSA and VRE.
Institute where first reported: Spirogen Ltd (Medimmune, USA)
Year first mentioned: 2004
Development status: Experimental
Reason dropped: This is currently in trials as a cancer treatment but as an antibiotic, R&D seems to have stopped
Chemical structure(s):
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Molecular weight: 556.61
Iso. SMILES: COC1=C(C=C2C(=C1)C(=O)N3CC(=C)C[C@H]3C=N2)OCCCOC4=C(C=C5C(=C4)N=C[C@@H]6CC(=C)CN6C5=O)OC
InChI Key: RWZVMMQNDHPRQD-SFTDATJTSA-N
Can. SMILES: C=C1C[C@H]2C=NC3=C(C=C(C(=C3)OCCCOC4=CC5=C(C=C4OC)C(=O)N6CC(=C)C[C@H]6C=N5)OC)C(=O)N2C1
InChI: InChI=1S/C31H32N4O6/c1-18-8-20-14-32-24-12-28(26(38-3)10-22(24)30(36)34(20)16-18)40-6-5-7-41-29-13-25-23(11-27(29)39-4)31(37)35-17-19(2)9-21(35)15-33-25/h10-15,20-21H,1-2,5-9,16-17H2,3-4H3/t20-,21-/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/393111

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