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SARS-CoV-2-IN-113

CAT: 0804-HY-174373Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-174373Size:1 Each
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Description
SARS-CoV-2-IN-113 (Compound 24) is a sulfonohydrazide derivative against SARS-CoV-2 infection with an IC50 of 8.320 μM. SARS-CoV-2-IN-113 exerts potent antiviral effects by inhibiting the entry and replication of SARS-CoV-2, and downregulating the expression of genes and proteins such as Spike, ACE-2, and RdRp. SARS-CoV-2-IN-113 has high selectivity and low cytotoxicity, and can be used in the research of SARS-CoV-2[1].
CAS Number
455304-63-9
UNSPSC
12352100
Target
Angiotensin-converting Enzyme (ACE) ; SARS-CoV
Related Pathways
Anti-infection; Metabolic Enzyme/Protease
Field of Research
Infection
Smiles
CC1=CC=C(C=C1)S(=O)(N/N=C/C2=C(C(O)=C(C=C2)O)O)=O
Molecular Formula
C14H14N2O5S
Molecular Weight
322.34
References & Citations
[1]Khan Z, et al. Sulfonohydrazide as a potential inhibitor of SARS-CoV-2 infection. Sci Rep. 2025 May 28;15 (1) :18732.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

SARS-CoV-2-IN-113
CAS Number455304-63-9
PubChem CID176489953
IUPAC Name4-methyl-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]benzenesulfonamide
Molecular FormulaC14H14N2O5S
Molecular Weight322.34
XLogP1.8
Topological Polar Surface Area128
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity482
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C/C2=C(C(=C(C=C2)O)O)O
InChI
InChI=1S/C14H14N2O5S/c1-9-2-5-11(6-3-9)22(20,21)16-15-8-10-4-7-12(17)14(19)13(10)18/h2-8,16-19H,1H3/b15-8+
InChIKey
CBTDPHJXQDKURW-OVCLIPMQSA-N
Chemical Structure
2D Structure
2D structure of SARS-CoV-2-IN-113
CAS: 455304-63-9
CID: 176489953
Formula: C14H14N2O5S
MW: 322.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight322.34
XLogP31.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass322.06234272
Monoisotopic Mass322.06234272
Topological Polar Surface Area128 Ų
Heavy Atom Count22
Formal Charge0
Complexity482
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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