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EBOV-IN-8

CAT: 0804-HY-160883Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-160883Size:1 Each
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Description
EBOV-IN-8 (Compound 30) inhibits Ebola pseudotyped virus (pEBOV) infection with an IC50 of 62.1% at 10 μM[1].
CAS Number
286854-12-4
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-8.html
Solubility
10 mM in DMSO
Smiles
OC(/C=C\C(O)=O)=O.O=S(C1=CSC=C1C2OCCN3CCCCC3)(N(C4=CC=CC=C42)C)=O
Molecular Formula
C23H28N2O7S2
Molecular Weight
508.61
References & Citations
[1]Lasala F, 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-8
CAS Number286854-12-4
PubChem CID171714249
IUPAC Name(Z)-but-2-enedioic acid;5-methyl-10-(2-piperidin-1-ylethoxy)-10H-thieno[3,4-c][2,1]benzothiazepine 4,4-dioxide
Molecular FormulaC23H28N2O7S2
Molecular Weight508.6
Topological Polar Surface Area161
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity693
SMILES
CN1C2=CC=CC=C2C(C3=CSC=C3S1(=O)=O)OCCN4CCCCC4.C(=C\C(=O)O)\C(=O)O
InChI
InChI=1S/C19H24N2O3S2.C4H4O4/c1-20-17-8-4-3-7-15(17)19(16-13-25-14-18(16)26(20,22)23)24-12-11-21-9-5-2-6-10-21;5-3(6)1-2-4(7)8/h3-4,7-8,13-14,19H,2,5-6,9-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey
VRJZEAICVWVDJI-BTJKTKAUSA-N
Chemical Structure
2D Structure
2D structure of Ebov-IN-8
CAS: 286854-12-4
CID: 171714249
Formula: C23H28N2O7S2
MW: 508.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight508.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass508.13379358
Monoisotopic Mass508.13379358
Topological Polar Surface Area161 Ų
Heavy Atom Count34
Formal Charge0
Complexity693
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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