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Avibactam tomilopil

CAT: 0804-HY-132987-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-132987-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Avibactam tomilopil (ARX-1796, AV-006) is an orally active prodrug of Avibactam and a β-lactamase inhibitor. Avibactam tomilopil can be used in the study of diseases such as urinary tract infections[1][2][3].
CAS Number
2245880-46-8
Product Name Alternative
ARX-1796; AV-006
UNSPSC
12352005
Target
Bacterial; Beta-lactamase; Drug Intermediate
Type
Reference compound
Related Pathways
Anti-infection; Others
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/avibactam-tomilopil.html
Purity
98.57
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
NC([C@H]1[N@@]2C(N([C@H](CC1)C2)OS(OCC(C)(C)C(OCC)=O)(=O)=O)=O)=O
Molecular Formula
C14H23N3O8S
Molecular Weight
393.41
References & Citations
[1]Veeraraghavan B, et al. Oral Antibiotics in Clinical Development for Community-Acquired Urinary Tract Infections. Infect Dis Ther. 2021;10 (4) :1815-1835. |[2]Falcone M, et al. Spotlight on ceftazidime/avibactam: a new option for MDR Gram-negative infections. J Antimicrob Chemother. 2016;71 (10) :2713-2722. |[3]Huband MD, et al. Determination of MIC Quality Control Ranges for Ceftibuten-Avibactam (Fixed 4 μg/mL), a Novel β-Lactam/β-Lactamase Inhibitor Combination. J Clin Microbiol. 2023 Jul 20;61 (7) :e0165722.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 1

Chemical Information

Avibactam Tomilopil

Avibactam tomilopil is a small molecule drug. The usage of the INN stem '-bactam' in the name indicates that Avibactam tomilopil is a ẞ-lactamase inhibitor. Avibactam tomilopil has a monoisotopic molecular weight of 393.12 Da.

CAS Number2245880-46-8
PubChem CID135339165
IUPAC Nameethyl 3-[[(2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl]oxysulfonyloxy]-2,2-dimethylpropanoate
Molecular FormulaC14H23N3O8S
Molecular Weight393.42
XLogP-0.2
Topological Polar Surface Area154
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count26
Formal Charge0
Complexity687
SMILES
CCOC(=O)C(C)(C)COS(=O)(=O)ON1[C@@H]2CC[C@H](N(C2)C1=O)C(=O)N
InChI
InChI=1S/C14H23N3O8S/c1-4-23-12(19)14(2,3)8-24-26(21,22)25-17-9-5-6-10(11(15)18)16(7-9)13(17)20/h9-10H,4-8H2,1-3H3,(H2,15,18)/t9-,10+/m1/s1
InChIKey
JHSLCXRZVJOZQZ-ZJUUUORDSA-N
Chemical Structure
2D Structure
2D structure of Avibactam Tomilopil
CAS: 2245880-46-8
CID: 135339165
Formula: C14H23N3O8S
MW: 393.42
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.42
XLogP3-0.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass393.12058587
Monoisotopic Mass393.12058587
Topological Polar Surface Area154 Ų
Heavy Atom Count26
Formal Charge0
Complexity687
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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