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Chemical structure of Acelarin (NUC-1031)

GC34090

Acelarin (NUC-1031)

Also known as benzyl (2S)-2-[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Acelarin (NUC-1031) (NUC-1031) is a ProTide transformation and enhancement of the widely-used nucleoside analogue, gemcitabine

ChemicalCAS840506-29-8MW580.47FormulaC25H27F2N4O8P
CAS number
840506-29-8
Molecular weight
580.47
Formula
C25H27F2N4O8P
Solubility
DMSO ： ≥ 36 mg/mL (62·02 mM)
InChIKey
NHTKGYOMICWFQZ-KKQYNPQSSA-N
Catalogue number
GC34090
Brand
GLPBIO
Computed properties PubChem CID 11169170 · XLogP 1.4 · TPSA 162 Ų · H-bond donors 3
XLogP
1.4
TPSA
162 Ų
H-bond donors
3
H-bond acceptors
11
Rotatable bonds
12
Heavy atoms
40

SMILES C[C@@H](C(=O)OCC1=CC=CC=C1)NP(=O)(OC[C@@H]2[C@H](C([C@@H](O2)N3C=CC(=NC3=O)N)(F)F)O)OC4=CC=CC=C4

Computed descriptors from PubChem (CID 11169170), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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