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G43

CAT: 0804-HY-155715-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-155715-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
G43 is a potent, selective glucosyltransferase inhibitor, with the Kd of 3.7μM and 46.9 nM for GtfB and GtfC, respectively. G43 has antibacterial to S. mutans in vitro and in vivo, and can be used for dental caries study[1][2].
CAS Number
690693-02-8
UNSPSC
12352005
Target
Bacterial; Glucosylceramide Synthase (GCS)
Type
Reference compound
Related Pathways
Anti-infection; Neuronal Signaling
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/g43.html
Purity
99.76
Solubility
DMSO : 20 mg/mL (ultrasonic)
Smiles
O=C(C1=CC2=C(S1)C=CC([N+]([O-])=O)=C2)NC3=CC=CC=C3C(N)=O
Molecular Formula
C16H11N3O4S
Molecular Weight
341.34
References & Citations
[1]Zhang Q, et al. Structure-Based Discovery of Small Molecule Inhibitors of Cariogenic Virulence. Sci Rep. 2017;7 (1) :5974.|[2]Scaffa PMC, et al. The potential use of glycosyl-transferase inhibitors for targeted reduction of S. mutans biofilms in dental materials. Sci Rep. 2023;13 (1) :11889.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N-(2-carbamoylphenyl)-5-nitro-1-benzothiophene-2-carboxamide
CAS Number690693-02-8
PubChem CID2928882
IUPAC NameN-(2-carbamoylphenyl)-5-nitro-1-benzothiophene-2-carboxamide
Molecular FormulaC16H11N3O4S
Molecular Weight341.3
XLogP3.4
Topological Polar Surface Area146
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity524
SMILES
C1=CC=C(C(=C1)C(=O)N)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]
InChI
InChI=1S/C16H11N3O4S/c17-15(20)11-3-1-2-4-12(11)18-16(21)14-8-9-7-10(19(22)23)5-6-13(9)24-14/h1-8H,(H2,17,20)(H,18,21)
InChIKey
BTTXJIMSRRTAQM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-carbamoylphenyl)-5-nitro-1-benzothiophene-2-carboxamide
CAS: 690693-02-8
CID: 2928882
Formula: C16H11N3O4S
MW: 341.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight341.3
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass341.04702701
Monoisotopic Mass341.04702701
Topological Polar Surface Area146 Ų
Heavy Atom Count24
Formal Charge0
Complexity524
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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