Compound ID | 416

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Ro 246392

Class: Beta-lactam (cephalosporin)

Spectrum of activity: Gram-positive  &  Gram-negative
Details of activity: Cell wall inhibitor and DNA synthesis inhibitor
Institute where first reported: Hoffman-La Roche, Switzerland
Year first mentioned: 1990
Highest developmental phase: Preclinical
Development status: Discontinued
Reason Dropped: Roche pulled out of antibioitc R&D in 1999
Chemical structure(s):
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Molecular weight: 726.76
Iso. SMILES: CO/N=C(\C1=CSC(=N1)N)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)C4=CN(C5=CC(=C(C=C5C4=O)F)N6CCNCC6)C7CC7)C(=O)O
InChI Key: MPWTZPXSZLWXHL-LJPPBSFJSA-N
Can. SMILES: CO/N=C(\C1=CSC(=N1)N)/C(=O)N[C@@H]2C(=O)N3C(=C(COC(=O)C4=CN(C5CC5)C6=C(C=C(C(=C6)N7CCNCC7)F)C4=O)CS[C@H]23)C(=O)O
InChI: InChI=1S/C31H31FN8O8S2/c1-47-37-22(19-13-50-31(33)35-19)26(42)36-23-27(43)40-24(29(44)45)14(12-49-28(23)40)11-48-30(46)17-10-39(15-2-3-15)20-9-21(38-6-4-34-5-7-38)18(32)8-16(20)25(17)41/h8-10,13,15,23,28,34H,2-7,11-12H2,1H3,(H2,33,35)(H,36,42)(H,44,45)/b37-22+/t23-,28-/m1/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/9589390
Citations:
  • http://www.fiercebiotech.com/story/roche-heralds-its-return-antibiotics-field-560m-polyphor-deal/2013-11-04

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