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SSAA09E3

CAT: 0804-HY-138102-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-138102-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SSAA09E3 is a SARS-CoV entry inhibitor that inhibits SARS/HIV pseudotyped virus entry with an EC50 of 9.7 μM in 293T cells and inhibits SARS-CoV infection of Vero cells with an EC50 of 0.15 μM[1][2].
CAS Number
52869-18-8
UNSPSC
12352005
Hazard Statement
H302, H319, H372, H410
Target
SARS-CoV
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-anti-virus
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/ssaa09e3.html
Purity
99.42
Solubility
DMSO : 33.33 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C(NC(C=C1C2=O)=CC=C1C(C3=C2C=CC=C3)=O)C4=CC=CC=C4
Molecular Formula
C21H13NO3
Molecular Weight
327.33
Precautions
H302, H319, H372, H410
References & Citations
[1]Ghosh AK, et al. Drug Development and Medicinal Chemistry Efforts toward SARS-Coronavirus and Covid-19 Therapeutics. ChemMedChem. 2020 Jun 4;15 (11) :907-932.|[2]Adedeji AO, et al. Novel inhibitors of severe acute respiratory syndrome coronavirus entry that act by three distinct mechanisms. J Virol. 2013 Jul;87 (14) :8017-28.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N-(9,10-dioxo-9,10-dihydroanthracen-2-yl)benzamide

inhibitor of severe acute respiratory syndrome coronavirus entry; structure in first source

CAS Number52869-18-8
PubChem CID570342
IUPAC NameN-(9,10-dioxoanthracen-2-yl)benzamide
Molecular FormulaC21H13NO3
Molecular Weight327.3
XLogP3.7
Topological Polar Surface Area63.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity551
SMILES
C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C21H13NO3/c23-19-15-8-4-5-9-16(15)20(24)18-12-14(10-11-17(18)19)22-21(25)13-6-2-1-3-7-13/h1-12H,(H,22,25)
InChIKey
SIGATAYQAZTAOH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(9,10-dioxo-9,10-dihydroanthracen-2-yl)benzamide
CAS: 52869-18-8
CID: 570342
Formula: C21H13NO3
MW: 327.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight327.3
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass327.08954328
Monoisotopic Mass327.08954328
Topological Polar Surface Area63.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity551
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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