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GS-441524 HCl

CAT: 0013-GTR19210359-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210359-01Size:25 mg
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Description
GS-441524 is the active metabolite of Remdesivir and a potent nucleoside analog inhibitor of viral RNA-dependent RNA polymerase. It demonstrates strong antiviral activity against feline infectious peritonitis virus (FIPV) both in vitro (e.g., CRFK cells and feline macrophages) and in vivo, with an EC50 of 0.78 μM, and shows low cytotoxicity at concentrations up to 100 μM.
CAS Number
2378280-82-9
Field of Research
Cell Biology, Infectious Disease & Virology, Molecular Biology
Smiles
C (#N) [C@]1 (O[C@H] (CO) [C@@H] (O) [C@H]1O) C=2N3C (=CC2) C (N) =NC=N3.Cl
Molecular Formula
C12H14ClN5O4
Molecular Weight
327.72
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

7QK7Uhp3TK
CAS Number2378280-82-9
PubChem CID146012781
IUPAC Name(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile;hydrochloride
Molecular FormulaC12H14ClN5O4
Molecular Weight327.72
Topological Polar Surface Area150
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity456
SMILES
C1=C2C(=NC=NN2C(=C1)[C@]3([C@@H]([C@@H]([C@H](O3)CO)O)O)C#N)N.Cl
InChI
InChI=1S/C12H13N5O4.ClH/c13-4-12(10(20)9(19)7(3-18)21-12)8-2-1-6-11(14)15-5-16-17(6)8;/h1-2,5,7,9-10,18-20H,3H2,(H2,14,15,16);1H/t7-,9-,10-,12+;/m1./s1
InChIKey
RUKJXQWRCFJDMA-BITRNDABSA-N
Chemical Structure
2D Structure
2D structure of 7QK7Uhp3TK
CAS: 2378280-82-9
CID: 146012781
Formula: C12H14ClN5O4
MW: 327.72
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight327.72
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass327.0734316
Monoisotopic Mass327.0734316
Topological Polar Surface Area150 Ų
Heavy Atom Count22
Formal Charge0
Complexity456
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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