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EBOV/MARV-IN-3

CAT: 0804-HY-146814Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-146814Size:1 Each
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Description
EBOV/MARV-IN-3 (compound 32) is a potent EBOV and MARV inhibitor with IC50 values of 0.5, 1.2 µM, respectively. EBOV/MARV-IN-3 binds to the hydrophobic pocket close to EBOV Y517. EBOV/MARV-IN-3 shows antiviral activity[1].
CAS Number
2687245-05-0
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-marv-in-3.html
Solubility
10 mM in DMSO
Smiles
CC1=C(C(OC2=CC(OCC(CN3CCC(CC3)C(N)=O)O)=CC=C21)=O)CC4=CC=C(C=C4)OC(F)(F)F
Molecular Formula
C27H29F3N2O6
Molecular Weight
534.52
References & Citations
[1]Gao Y, et al. Development of coumarine derivatives as potent anti-filovirus entry inhibitors targeting viral glycoprotein. Eur J Med Chem. 2020 Oct 15;204:112595.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
EBOV; MARV

Chemical Information

Ebov/marv-IN-3
CAS Number2687245-05-0
PubChem CID162516422
IUPAC Name1-[2-hydroxy-3-[4-methyl-2-oxo-3-[[4-(trifluoromethoxy)phenyl]methyl]chromen-7-yl]oxypropyl]piperidine-4-carboxamide
Molecular FormulaC27H29F3N2O6
Molecular Weight534.5
XLogP3.7
Topological Polar Surface Area111
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count38
Formal Charge0
Complexity865
SMILES
CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(CN3CCC(CC3)C(=O)N)O)CC4=CC=C(C=C4)OC(F)(F)F
InChI
InChI=1S/C27H29F3N2O6/c1-16-22-7-6-21(36-15-19(33)14-32-10-8-18(9-11-32)25(31)34)13-24(22)37-26(35)23(16)12-17-2-4-20(5-3-17)38-27(28,29)30/h2-7,13,18-19,33H,8-12,14-15H2,1H3,(H2,31,34)
InChIKey
JZHFBYJXKDDCIX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ebov/marv-IN-3
CAS: 2687245-05-0
CID: 162516422
Formula: C27H29F3N2O6
MW: 534.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight534.5
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass534.19777114
Monoisotopic Mass534.19777114
Topological Polar Surface Area111 Ų
Heavy Atom Count38
Formal Charge0
Complexity865
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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HY-168047EBOV-IN-10
HY-160881EBOV-IN-6
HY-160880EBOV-IN-5
HY-160877EBOV-IN-2
HY-160882EBOV-IN-7

Alternative Products

CatalogName
GTR18777981-01MARV/EBOV Glycoprotein/GP1 Antibody
ARO-A23144-01Anti-MARV/EBOV Glycoprotein/GP1 Antibody (MR-72)
WH0788U-Blot® MARV/EBOV Glycoprotein/GP1 Antibody (MR-72)
VK669073-01Anti-MARV/EBOV Glycoprotein/GP1 Recombinant Antibody (MR-72)
T86331-01EBOV-IN-3
P524019EBOV-VP40 Protein (N-His, EBOV)
P520952EBOV-G Protein (C-His, EBOV)
BA1649-1EBOV-IN-1
T68749-01EBOV-IN-C31
T209808-01EBOV-IN-6

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