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Cefoselis (sulfate)

CAT: 0804-HY-B0186B-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0186B-01Size:5 mg
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Description
Cefoselis sulfate (FK-037), the fourth gen-eration of cephalosporin, is a β-lactam antibiotic. Cefoselis sulfate exhibits good activity against a wide range of Gram-positive and Gram-negative organisms. Cefoselis sulfate penetrates the blood-brain barrier[1][2][3].
CAS Number
122841-12-7
Product Name Alternative
FK-037
UNSPSC
12352005
Hazard Statement
H302, H312, H332
Target
Antibiotic; Bacterial
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/Cefoselis-sulfate.html
Purity
99.36
Solubility
DMSO : 100 mg/mL (ultrasonic) |H2O : 14.29 mg/mL (ultrasonic)
Smiles
O=C(C(N12)=C(CN3N(CCO)C(C=C3)=N)CS[C@]2([H])[C@H](NC(/C(C4=CSC(N)=N4)=N\OC)=O)C1=O)O.O=S(O)(O)=O
Molecular Formula
C19H24N8O10S3
Molecular Weight
620.64
Precautions
H302, H312, H332
References & Citations
[1]ZHU, D., et al., In vitro activities of cefoselis compared to β-lactams and other antibacterial agents aganst gram-positive and gram-negative clinical isolates. Chinese Journal of Infection and Chemotherapy, 2011. 4: p. 002.|[2]King, A., L. Bethune, and I. Phillips, The Comparative In Vitro Activity of FK-037 (Cefoselis), a New Broad-Spectrum Cephalosporin. Clin Microbiol Infect, 1995. 1 (1) : p. 13-17.|[3]K Ohtaki, et al. Cefoselis, a beta-lactam antibiotic, easily penetrates the blood-brain barrier and causes seizure independently by glutamate release. J Neural Transm (Vienna) . 2004 Dec;111 (12) :1523-35.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
Launched
Isoform
β-lactam

Chemical Information

Cefoselis Sulfate

Cefoselis sulfate is an azaheterocycle sulfate salt. It is functionally related to a member of cefoselis.

CAS Number122841-12-7
PubChem CID9830519
IUPAC Name(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[2-(2-hydroxyethyl)-3-iminopyrazol-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;sulfuric acid
Molecular FormulaC19H24N8O10S3
Molecular Weight620.6
Topological Polar Surface Area334
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count17
Rotatable Bond Count9
Heavy Atom Count40
Formal Charge0
Complexity1100
SMILES
CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CN4C=CC(=N)N4CCO)C(=O)O.OS(=O)(=O)O
InChI
InChI=1S/C19H22N8O6S2.H2O4S/c1-33-24-12(10-8-35-19(21)22-10)15(29)23-13-16(30)27-14(18(31)32)9(7-34-17(13)27)6-25-3-2-11(20)26(25)4-5-28;1-5(2,3)4/h2-3,8,13,17,20,28H,4-7H2,1H3,(H2,21,22)(H,23,29)(H,31,32);(H2,1,2,3,4)/b20-11?,24-12-;/t13-,17-;/m1./s1
InChIKey
LZOLCSVRFKCSEM-ZQCAECPKSA-N
Chemical Structure
2D Structure
2D structure of Cefoselis Sulfate
CAS: 122841-12-7
CID: 9830519
Formula: C19H24N8O10S3
MW: 620.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight620.6
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count17
Rotatable Bond Count9
Exact Mass620.07775251
Monoisotopic Mass620.07775251
Topological Polar Surface Area334 Ų
Heavy Atom Count40
Formal Charge0
Complexity1100
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes