Compound ID | 452

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Ro 25-0534

Class: Beta-lactam; quinolone

Agent Type: Semisynthetic; Small molecule; Direct acting;
Spectrum of activity: Gram-negative
Mechanism of action: Cell wall synthesis inhibitor. Additionally inhibits DNA synthesis
Description: Catechol cephalosporin linked to ciprofloxacin
Institute where first reported: Hoffmann-La Roche Inc, Switzerland
Year first mentioned: 1993
Highest development stage: Preclinical
Development status: Experimental
Chemical structure(s):
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Molecular weight: 948.96
Iso. SMILES: CC(C)(C(=O)NNC(=O)C1=CC(=C(C=C1)O)O)O/N=C(/C2=CSC(=N2)N)\C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)CN5CCN(CC5)C6=C(C=C7C(=C6)N(C=C(C7=O)C(=O)O)C8CC8)F)C(=O)O
InChI Key: IXDFVVUXTFRFQQ-MOSWNVLFSA-N
Can. SMILES: CC(C)(C(=O)NNC(=O)C1=CC=C(C(=C1)O)O)O/N=C(/C2=CSC(=N2)N)\C(=O)N[C@@H]3C(=O)N4C(=C(CN5CCN(CC5)C6=CC7=C(C=C6F)C(=O)C(=CN7C8CC8)C(=O)O)CS[C@H]34)C(=O)O
InChI: InChI=1S/C41H41FN10O12S2/c1-41(2,39(63)47-46-33(56)18-3-6-27(53)28(54)11-18)64-48-29(24-17-66-40(43)44-24)34(57)45-30-35(58)52-31(38(61)62)19(16-65-36(30)52)14-49-7-9-50(10-8-49)26-13-25-21(12-23(26)42)32(55)22(37(59)60)15-51(25)20-4-5-20/h3,6,11-13,15,17,20,30,36,53-54H,4-5,7-10,14,16H2,1-2H3,(H2,43,44)(H,45,57)(H,46,56)(H,47,63)(H,59,60)(H,61,62)/b48-29-/t30-,36-/m1/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/9578245
Citation: https://www.ncbi.nlm.nih.gov/pubmed/8026159

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