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Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
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Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 66338-96-3 Chemical Structure| 66338-96-3

Structure of 66338-96-3

Chemical Structure| 66338-96-3

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Product Citations

Product Citations

Jonathan M. Stokes ; Kevin Yang ; Kyle Swanson ; Wengong Jin ; Andres Cubillos-Ruiz ; Nina M. Donghia , et al.

Abstract: Due to the rapid emergence of antibiotic-resistant bacteria, there is a growing need to discover new antibiotics. To address this challenge, we trained a deep neural network capable of predicting molecules with antibacterial activity. We performed predictions on multiple chemical libraries and discovered a molecule from the Drug Repurposing Hub—halicin—that is structurally divergent from conventional antibiotics and displays bactericidal activity against a wide phylogenetic spectrum of pathogens including Mycobacterium tuberculosis and carbapenem-resistant Enterobacteriaceae. Halicin also effectively treated Clostridioides difficile and pan-resistant Acinetobacter baumannii infections in murine models. Additionally, from a discrete set of 23 empirically tested predictions from >107 million molecules curated from the ZINC15 database, our model identified eight antibacterial compounds that are structurally distant from known antibiotics. This work highlights the utility of deep learning approaches to expand our antibiotic arsenal through the discovery of structurally distinct antibacterial molecules.

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Product Details of [ 66338-96-3 ]

CAS No. :66338-96-3
Formula : C5H5N3O3S
M.W : 187.18
SMILES Code : O=C(O)/C(C1=CSC(N)=N1)=N\O
MDL No. :MFCD00062754

Safety of [ 66338-96-3 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H228-H301+H311+H331-H315-H319
Precautionary Statements:P240-P210-P241-P280-P370+P378-P501-P261-P270-P271-P264-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405
Class:4.1(6.1)
UN#:2926
Packing Group:
 

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