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Amb929

CAT: 0013-GTR19264390-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19264390-02Size:10 mg
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Description
Amb929 (ZINC000002782982), an nsp3 ligand, is a drug active against SARS-CoV-2. It inhibits the replication of SARS-CoV-2-mNG in VeroE6 cells with an EC50 value of 34.7 μM. Amb929 exhibits limited to moderate cytotoxicity in VeroE6 cells (CC50: 281 μM) and also suppresses the replication of SARS-CoV-2-mNG in human airway epithelium (HAE) .
CAS Number
438196-25-9
Field of Research
Infectious Disease & Virology
Smiles
O=C (OC) C1=CC=C (C=C1) NC (=S) NC (=O) C2=CC (=NC=3C=CC=CC32) C=4C=CC=C (OCC (C) C) C4
Molecular Formula
C29H27N3O4S
Molecular Weight
513.61
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Methyl 4-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]benzoate
CAS Number438196-25-9
PubChem CID5063249
IUPAC Namemethyl 4-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]benzoate
Molecular FormulaC29H27N3O4S
Molecular Weight513.6
XLogP6.6
Topological Polar Surface Area122
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count37
Formal Charge0
Complexity785
SMILES
CC(C)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=CC=C(C=C4)C(=O)OC
InChI
InChI=1S/C29H27N3O4S/c1-18(2)17-36-22-8-6-7-20(15-22)26-16-24(23-9-4-5-10-25(23)31-26)27(33)32-29(37)30-21-13-11-19(12-14-21)28(34)35-3/h4-16,18H,17H2,1-3H3,(H2,30,32,33,37)
InChIKey
PKDXMJXZEAJBBQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 4-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]benzoate
CAS: 438196-25-9
CID: 5063249
Formula: C29H27N3O4S
MW: 513.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight513.6
XLogP36.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass513.17222752
Monoisotopic Mass513.17222752
Topological Polar Surface Area122 Ų
Heavy Atom Count37
Formal Charge0
Complexity785
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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