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GS 441524 triphosphate

CAT: 0013-GTR19157387-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19157387-01Size:200 mg
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Description
GS-441524 treatment of cats with naturally occurring feline infectious peritonitis.
CAS Number
1191237-69-0
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 83.33 mg/mL (286.10 mM)
Smiles
Nc1ncnn2c (ccc12) [C@@]1 (O[C@H] (CO) [C@@H] (O) [C@H]1O) C#N
Molecular Formula
C12H13N5O4
Molecular Weight
291.26
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
(2R3R4S5R) -2- (4-aminopyrrolo[21-f][124]triazin-7-yl) -34-dihydroxy-5- (hydroxymethyl) tetrahydrofuran-2-carbonitrile

Chemical Information

Gs-441524

GS-441524 is a C-nucleoside analog that is (2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-carbonitrile substituted by a 4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl group at position 2. It is the active metabolite of remdesivir and exhibits a broad range of inhibitory activity against various RNA viruses including HCV, parainfluenza and SARS-CoV. It has a role as an anticoronaviral agent, an antiviral agent and a drug metabolite. It is a nitrile, an aromatic amine, a C-nucleoside and a pyrrolotriazine.

CAS Number1191237-69-0
PubChem CID44468216
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
Molecular FormulaC12H13N5O4
Molecular Weight291.26
XLogP-1.4
Topological Polar Surface Area150
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity456
SMILES
C1=C2C(=NC=NN2C(=C1)[C@]3([C@@H]([C@@H]([C@H](O3)CO)O)O)C#N)N
InChI
InChI=1S/C12H13N5O4/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)/t7-,9-,10-,12+/m1/s1
InChIKey
BRDWIEOJOWJCLU-LTGWCKQJSA-N
Chemical Structure
2D Structure
2D structure of Gs-441524
CAS: 1191237-69-0
CID: 44468216
Formula: C12H13N5O4
MW: 291.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight291.26
XLogP3-1.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass291.09675391
Monoisotopic Mass291.09675391
Topological Polar Surface Area150 Ų
Heavy Atom Count21
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 Count1
Compound Is CanonicalizedYes

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