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Chemical structure of Niazinin

GC63109

Niazinin

Also known as O-methyl N-[[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]methyl]carbamothioate

Niazinin is a thiocarbamate glycoside with antileishmanial activities, with an IC50 value of 5·25 μM

ChemicalCAS147821-57-6MW343.4FormulaC15H21NO6S
CAS number
147821-57-6
Molecular weight
343.4
Formula
C15H21NO6S
Solubility
DMSO ： ≥ 50 mg/mL (145·60 mM)
InChIKey
ZOIAMMQYAZSWRX-CNJBRALLSA-N
Catalogue number
GC63109
Brand
GLPBIO
Computed properties PubChem CID 10088810 · XLogP 0.4 · TPSA 133 Ų · H-bond donors 4
XLogP
0.4
TPSA
133 Ų
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
23

SMILES C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)CNC(=S)OC)O)O)O

Computed descriptors from PubChem (CID 10088810), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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