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Chemical structure of 5-NIdR

GB40079

5-NIdR

Also known as (2R,3S,5R)-2-(hydroxymethyl)-5-(5-nitroindol-1-yl)oxolan-3-ol

5-NIdR, a non-natural nucleoside, is as a potent inhibitor of translesion DNA synthesis (TLS) activity· Conversion of this compound to the corresponding nucleoside triphosphate, 5-nitroindolyl-2'-deoxyriboside triphosphate, in vivo creates a potent inhibitor of several human DNA polymerases that can replicate damaged DNA

ChemicalCAS191421-10-0MW278.26FormulaC13H14N2O5
CAS number
191421-10-0
Molecular weight
278.26
Formula
C13H14N2O5
InChIKey
ODPRBLIUAVWXNM-YNEHKIRRSA-N
Catalogue number
GB40079
Brand
GLPBIO
Computed properties PubChem CID 15817525 · XLogP 1.2 · TPSA 100 Ų · H-bond donors 2
XLogP
1.2
TPSA
100 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
20

SMILES C1[C@@H]([C@H](O[C@H]1N2C=CC3=C2C=CC(=C3)[N+](=O)[O-])CO)O

Computed descriptors from PubChem (CID 15817525), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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