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Exaluren (sulfate)

CAT: 0804-HY-114231CSize: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-114231CSize:1 Each
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Description
Exaluren (ELX-02) sulfate is an investigational, advanced synthetic eukaryotic ribosome selective glycoside (ERSG) . Exaluren sulfate is being developed as a therapy for genetic diseases caused by nonsense mutations[1].
CAS Number
1375073-94-1
Product Name Alternative
ELX-02 (sulfate) ; NB-124 (sulfate)
UNSPSC
12352005
Target
Others
Type
Reference compound
Related Pathways
Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/exaluren-sulfate.html
Solubility
10 mM in DMSO
Smiles
C[C@@H](O)[C@@]([C@@H](O)[C@H](O)[C@H]1N)([H])O[C@]1([H])O[C@H]([C@H](C[C@@H](N)[C@@H]2O)N)[C@]2([H])O[C@@H]3O[C@@]([C@@H](N)C)([H])[C@@H](O)[C@H]3O.OS(=O)(O)=O.[x]
Molecular Formula
C19H40N4O14S
Molecular Weight
580.60
References & Citations
[1]Leubitz A, et al. Safety, Tolerability, and Pharmacokinetics of Single Ascending Doses of ELX-02, a Potential Treatment for Genetic Disorders Caused by Nonsense Mutations, in Healthy Volunteers. Clin Pharmacol Drug Dev. 2019 Jan 16.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Phase 2

Chemical Information

NB-124 sulfate
CAS Number1375073-94-1
PubChem CID71461381
IUPAC Name(2R,3S,4R,5R,6S)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-5-[(1S)-1-aminoethyl]-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxy-2-[(1R)-1-hydroxyethyl]oxane-3,4-diol;sulfuric acid
Molecular FormulaC19H40N4O14S
Molecular Weight580.6
Topological Polar Surface Area345
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count18
Rotatable Bond Count6
Heavy Atom Count38
Formal Charge0
Complexity733
SMILES
C[C@@H]([C@@H]1[C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](C[C@@H]([C@H]2O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)[C@@H](C)O)O)O)N)N)N)O)O)O)N.OS(=O)(=O)O
InChI
InChI=1S/C19H38N4O10.H2O4S/c1-4(20)14-12(28)13(29)19(30-14)33-17-9(25)6(21)3-7(22)16(17)32-18-8(23)10(26)11(27)15(31-18)5(2)24;1-5(2,3)4/h4-19,24-29H,3,20-23H2,1-2H3;(H2,1,2,3,4)/t4-,5+,6+,7-,8+,9-,10+,11-,12-,13+,14+,15+,16+,17+,18+,19-;/m0./s1
InChIKey
BOIAUNVCOPGNOT-STOTURBNSA-N
Chemical Structure
2D Structure
2D structure of NB-124 sulfate
CAS: 1375073-94-1
CID: 71461381
Formula: C19H40N4O14S
MW: 580.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight580.6
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count18
Rotatable Bond Count6
Exact Mass580.22617314
Monoisotopic Mass580.22617314
Topological Polar Surface Area345 Ų
Heavy Atom Count38
Formal Charge0
Complexity733
Isotope Atom Count0
Defined Atom Stereocenter Count16
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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