Compound ID | 443

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Ro 40-6890

Class: Beta-lactam

Agent Type: Semisynthetic; Small molecule; Direct acting;
Spectrum of activity: Gram-positive & Gram-negative
Mechanism of action: Cell wall synthesis inhibitor
Description: Hubschwerlen C, Charnas R, Angehrn P, et al. Ro 41-3399, a new oral Cephalosporin ester: synthesis and sructure- activity relations. 32nd-Intersci-Conf-Antimicrobial-Agents-Chemother 1992; 142
Institute where first reported: Hoffmann-La Roche Inc, Switzerland
Year first mentioned: 1992
Highest development stage: Phase 1
Development status: Inactive
Chemical structure(s):
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Molecular weight: 460.43
Iso. SMILES: CO/N=C(\C1=CSC(=N1)N)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CN=[N+]=[N-])C(=O)[O-].[Na+]
InChI Key: HZQKCIONPQFSNZ-LEVZIOCLSA-M
Can. SMILES: CO/N=C(\C1=CSC(=N1)N)/C(=O)N[C@@H]2C(=O)N3C(=C(CN=[N+]=[N-])CS[C@H]23)C(=O)[O-].[Na+]
InChI: InChI=1S/C14H14N8O5S2.Na/c1-27-20-7(6-4-29-14(15)18-6)10(23)19-8-11(24)22-9(13(25)26)5(2-17-21-16)3-28-12(8)22;/h4,8,12H,2-3H2,1H3,(H2,15,18)(H,19,23)(H,25,26);/q;+1/p-1/b20-7+;/t8-,12-;/m1./s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/9577211
Guide to Pharmacology: Ro-406890
Citation: https://journals.asm.org/doi/10.1128/aac.36.12.2825?url_ver=Z39.88-2003&rfr_id=ori%3Arid%3Acrossref.org&rfr_dat=cr_pub++0pubmed

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