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EBOV-IN-4

CAT: 0804-HY-160879Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-160879Size:1 Each
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Description
EBOV-IN-4 (compound 12), a benzothiazepine, is a potent Ebola virus (EBOV) inhibitor with 64.9% inhibitory for EBOV-GP-pseudotype virus (pEBOV) with 10 μM. EBOV-IN-4 is inactive with ASFV[1].
CAS Number
2896193-43-2
UNSPSC
12352005
Target
Filovirus
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-anti-virus
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/ebov-in-4.html
Solubility
10 mM in DMSO
Smiles
O=S1(C2=C(C(C3=C(N1C)C=CC=C3)N)SC=C2)=O
Molecular Formula
C12H12N2O2S2
Molecular Weight
280.37
References & Citations
[1]Fátima Lasala, et al. Identification of potential inhibitors of protein-protein interaction useful to fight against Ebola and other highly pathogenic viruses. Antiviral Res. 2021 Feb:186:105011.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
EBOV

Chemical Information

Ebov-IN-4
CAS Number2896193-43-2
PubChem CID171391480
IUPAC Name5-methyl-4,4-dioxo-10H-thieno[3,2-c][2,1]benzothiazepin-10-amine
Molecular FormulaC12H12N2O2S2
Molecular Weight280.4
XLogP1
Topological Polar Surface Area100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity420
SMILES
CN1C2=CC=CC=C2C(C3=C(S1(=O)=O)C=CS3)N
InChI
InChI=1S/C12H12N2O2S2/c1-14-9-5-3-2-4-8(9)11(13)12-10(6-7-17-12)18(14,15)16/h2-7,11H,13H2,1H3
InChIKey
JPLFHIQKWBDFPG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ebov-IN-4
CAS: 2896193-43-2
CID: 171391480
Formula: C12H12N2O2S2
MW: 280.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight280.4
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass280.03401998
Monoisotopic Mass280.03401998
Topological Polar Surface Area100 Ų
Heavy Atom Count18
Formal Charge0
Complexity420
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T86332-01EBOV-IN-4
P524019EBOV-VP40 Protein (N-His, EBOV)
P520952EBOV-G Protein (C-His, EBOV)
BA1649-1EBOV-IN-1
T68749-01EBOV-IN-C31
T209808-01EBOV-IN-6
T209643-01EBOV-IN-2
T86333-01EBOV-IN-5
GTR19238582-01EBOV-IN-10
P524017EBOV-VP24 Protein (N-His, EBOV)

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