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SS148

CAT: 0013-GTR19209989-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209989-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SS148 is a small molecule inhibitor targeting coronavirus nsp14 and nsp16 methyltransferases (MTases) . It exhibits promising selectivity over human MTases, indicating a favorable profile for further optimization. This compound is a valuable research tool for studying viral replication and developing broad-spectrum antiviral therapies in vitro.
CAS Number
1985669-27-9
Field of Research
Infectious Disease & Virology
Smiles
O[C@H]1[C@H] (N2C=3C (C (C#N) =C2) =C (N) N=CN3) O[C@H] (CSCC[C@@H] (C (O) =O) N) [C@H]1O
Molecular Formula
C16H20N6O5S
Molecular Weight
408.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2S)-2-amino-4-(((2S,3S,4R,5R)-5-(4-amino-5-cyanopyrrolo(2,3-d)pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl)methylsulfanyl)butanoic acid
CAS Number1985669-27-9
PubChem CID121225442
IUPAC Name(2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(4-amino-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
Molecular FormulaC16H20N6O5S
Molecular Weight408.4
XLogP-4.1
Topological Polar Surface Area219
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity620
SMILES
C1=C(C2=C(N=CN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N)C#N
InChI
InChI=1S/C16H20N6O5S/c17-3-7-4-22(14-10(7)13(19)20-6-21-14)15-12(24)11(23)9(27-15)5-28-2-1-8(18)16(25)26/h4,6,8-9,11-12,15,23-24H,1-2,5,18H2,(H,25,26)(H2,19,20,21)/t8-,9+,11+,12+,15+/m0/s1
InChIKey
XLTWYAYAFLGUEQ-OPYVMVOTSA-N
Chemical Structure
2D Structure
2D structure of (2S)-2-amino-4-(((2S,3S,4R,5R)-5-(4-amino-5-cyanopyrrolo(2,3-d)pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl)methylsulfanyl)butanoic acid
CAS: 1985669-27-9
CID: 121225442
Formula: C16H20N6O5S
MW: 408.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight408.4
XLogP3-4.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass408.12158893
Monoisotopic Mass408.12158893
Topological Polar Surface Area219 Ų
Heavy Atom Count28
Formal Charge0
Complexity620
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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