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GlyRS-IN-1

CAT: 0013-GTR19205751-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205751-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
GlyRS-IN-1 is a small molecule inhibitor targeting glycyl-tRNA synthetase (GlyRS), exhibiting antibacterial activity. It serves as a useful research tool for studying bacterial protein synthesis and exploring novel antibiotic mechanisms in both in vitro and cell-based assays.
CAS Number
112921-11-6
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
99.86% (May vary between batches)
Smiles
O[C@H]1[C@H] (N2C=3C (N=C2) =C (N) N=CN3) O[C@H] (COS (NC (CN) =O) (=O) =O) [C@H]1O
Molecular Formula
C12H17N7O7S
Molecular Weight
403.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5'-O-(Glycylsulfamoyl)adenosine
CAS Number112921-11-6
PubChem CID9909127
IUPAC Name[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl N-(2-aminoacetyl)sulfamate
Molecular FormulaC12H17N7O7S
Molecular Weight403.37
XLogP-3.7
Topological Polar Surface Area226
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity646
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)CN)O)O)N
InChI
InChI=1S/C12H17N7O7S/c13-1-6(20)18-27(23,24)25-2-5-8(21)9(22)12(26-5)19-4-17-7-10(14)15-3-16-11(7)19/h3-5,8-9,12,21-22H,1-2,13H2,(H,18,20)(H2,14,15,16)/t5-,8-,9-,12-/m1/s1
InChIKey
AMWPZASLDLLQFT-JJNLEZRASA-N
Chemical Structure
2D Structure
2D structure of 5'-O-(Glycylsulfamoyl)adenosine
CAS: 112921-11-6
CID: 9909127
Formula: C12H17N7O7S
MW: 403.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight403.37
XLogP3-3.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Exact Mass403.09101708
Monoisotopic Mass403.09101708
Topological Polar Surface Area226 Ų
Heavy Atom Count27
Formal Charge0
Complexity646
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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