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Ro 09-1428

CAT: 0804-HY-117736Size: 1 EachDry Ice: NoHazardous: No
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Description
Ro 09-1428 is a broad-spectrum parenteral cephalosporin. Ro 09-1428 has potent antibacterial activities against Pseudomonas aeruginosa and Acinetobacter caloaceticus, with MIC90s of 0.39 and 6.25 μg/mL, respectively, better than Ceftazidime. Additionally, Ro 09-1428 shows high activity against Escherichia coli, Kkbsielia pneumoniae, Proteus mirabilis, P. aeruginosa, staphylococci, and more. Ro 09-1428 preferentially attacks PBP 3 for target in E. coli and P. aeruginosa, which is promising for research of septicemias and serious P. aeruginosa infections[1][2].
CAS Number
134452-47-4
UNSPSC
12352005
Target
Bacterial; Penicillin-binding protein (PBP)
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/ro-09-1428.html
Smiles
O=C(C1=C(CSC2N1C(C2NC(/C(C3=CSC(N)=N3)=N/OC(C)(C)C(NNC(C4=CC=C(C(O)=C4)O)=O)=O)=O)=O)CSC5=CC(C)=NC6=NC(CO)=NN65)O
Molecular Formula
C31H31N11O10S3
Molecular Weight
813.84
References & Citations
[1]Arisawa M, et al. In vitro and in vivo evaluation of Ro 09-1428, a new parenteral cephalosporin with high antipseudomonal activity. Antimicrob Agents Chemother. 1991 Apr;35 (4) :653-9.|[2]Jones R N, et al. In vitro evaluation of Ro 09-1227, a novel catechol-substituted cephalosporin[J]. Antimicrobial agents and chemotherapy, 1992, 36 (1) : 233-238.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Ro 09-1428

structure given in first source; parenteral cephalosporin with high antipseudomonal activity

CAS Number134452-47-4
PubChem CID9576896
IUPAC Name7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[1-[2-(3,4-dihydroxybenzoyl)hydrazinyl]-2-methyl-1-oxopropan-2-yl]oxyiminoacetyl]amino]-3-[[2-(hydroxymethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular FormulaC31H31N11O10S3
Molecular Weight813.8
XLogP0.6
Topological Polar Surface Area388
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count19
Rotatable Bond Count12
Heavy Atom Count55
Formal Charge0
Complexity1590
SMILES
CC1=NC2=NC(=NN2C(=C1)SCC3=C(N4C(C(C4=O)NC(=O)/C(=N/OC(C)(C)C(=O)NNC(=O)C5=CC(=C(C=C5)O)O)/C6=CSC(=N6)N)SC3)C(=O)O)CO
InChI
InChI=1S/C31H31N11O10S3/c1-12-6-19(42-30(33-12)35-18(8-43)39-42)53-9-14-10-54-26-21(25(48)41(26)22(14)27(49)50)36-24(47)20(15-11-55-29(32)34-15)40-52-31(2,3)28(51)38-37-23(46)13-4-5-16(44)17(45)7-13/h4-7,11,21,26,43-45H,8-10H2,1-3H3,(H2,32,34)(H,36,47)(H,37,46)(H,38,51)(H,49,50)/b40-20+
InChIKey
CCOFMFVZORWSAE-KPRPFPDJSA-N
Chemical Structure
2D Structure
2D structure of Ro 09-1428
CAS: 134452-47-4
CID: 9576896
Formula: C31H31N11O10S3
MW: 813.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight813.8
XLogP30.6
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count19
Rotatable Bond Count12
Exact Mass813.14174975
Monoisotopic Mass813.14174975
Topological Polar Surface Area388 Ų
Heavy Atom Count55
Formal Charge0
Complexity1590
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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