Compound ID | 417

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Ro 246778

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: Inactive
Reason Dropped: Roche pulled out of antibioitc R&D in 1999
Chemical structure(s):
Click here for structure editor
Molecular weight: 750.73
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=C(C(=C(C=C5C4=O)F)N6CCNCC6)F)CCF)C(=O)O
InChI Key: JGBBZBNVTLUWFQ-XSVVVQJESA-N
Can. SMILES: CO/N=C(\C1=CSC(=N1)N)/C(=O)N[C@@H]2C(=O)N3C(=C(COC(=O)C4=CN(CCF)C5=C(C=C(C(=C5F)N6CCNCC6)F)C4=O)CS[C@H]23)C(=O)O
InChI: InChI=1S/C30H29F3N8O8S2/c1-48-38-19(17-12-51-30(34)36-17)25(43)37-20-26(44)41-21(28(45)46)13(11-50-27(20)41)10-49-29(47)15-9-40(5-2-31)22-14(24(15)42)8-16(32)23(18(22)33)39-6-3-35-4-7-39/h8-9,12,20,27,35H,2-7,10-11H2,1H3,(H2,34,36)(H,37,43)(H,45,46)/b38-19+/t20-,27-/m1/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/9578305
Citations:
  • http://www.fiercebiotech.com/story/roche-heralds-its-return-antibiotics-field-560m-polyphor-deal/2013-11-04

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