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UAWJ-247

CAT: 0013-GTR19209821-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209821-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
UAWJ-247 is a potent small molecule inhibitor of the SARS-CoV-2 Main Protease (Mpro), demonstrating an IC50 value of 45 nM. It serves as a valuable research tool for studying coronavirus replication and for the development of antiviral therapeutics in both biochemical and cellular assays.
CAS Number
1802664-84-1
Smiles
[Na+].OC ([C@H] (C[C@@H]1CCNC1=O) NC (=O) [C@H] (Cc1ccccc1) NC (=O) OCc1ccccc1) S ([O-]) (=O) =O
Molecular Formula
C24H28N3NaO8S
Molecular Weight
541.55
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Sodium (2S)-2-((S)-2-(((benzyloxy)carbonyl)amino)-3-phenylpropanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonate
CAS Number1802664-84-1
PubChem CID167312260
IUPAC Namesodium (2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propane-1-sulfonate
Molecular FormulaC24H28N3NaO8S
Molecular Weight541.6
Topological Polar Surface Area182
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Heavy Atom Count37
Formal Charge0
Complexity857
SMILES
C1CNC(=O)[C@@H]1C[C@@H](C(O)S(=O)(=O)[O-])NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3.[Na+]
InChI
InChI=1S/C24H29N3O8S.Na/c28-21-18(11-12-25-21)14-20(23(30)36(32,33)34)26-22(29)19(13-16-7-3-1-4-8-16)27-24(31)35-15-17-9-5-2-6-10-17;/h1-10,18-20,23,30H,11-15H2,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34);/q;+1/p-1/t18-,19-,20-,23?;/m0./s1
InChIKey
VFYODHDNARQKEF-SJZJPLIYSA-M
Chemical Structure
2D Structure
2D structure of Sodium (2S)-2-((S)-2-(((benzyloxy)carbonyl)amino)-3-phenylpropanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonate
CAS: 1802664-84-1
CID: 167312260
Formula: C24H28N3NaO8S
MW: 541.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight541.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Exact Mass541.14948032
Monoisotopic Mass541.14948032
Topological Polar Surface Area182 Ų
Heavy Atom Count37
Formal Charge0
Complexity857
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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