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Chemical structure of preQ1 dihydrochloride

GC74918

preQ1 dihydrochloride

Also known as 2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;dihydrochloride

preQ1 dihydrochloride is a modified, guanine-derived nucleobase and a precursor of Queuine biosynthesis· preQ1 dihydrochloride binds to the aptamer of PreQ1 riboswitch with high affinity

ChemicalCAS86694-45-3MW252.1FormulaC7H11Cl2N5O
CAS number
86694-45-3
Molecular weight
252.1
Formula
C7H11Cl2N5O
Solubility
DMSO： 125 mg/mL (495·83 mM; Need ultrasonic); H2O： 25 mg/mL (99·17 mM; ultrasonic and warming and heat to 60°C)
InChIKey
WUMBRQKOLVTYTB-UHFFFAOYSA-N
Catalogue number
GC74918
Brand
GLPBIO
Computed properties PubChem CID 136229764 · TPSA 109 Ų · H-bond donors 6 · H-bond acceptors 3
TPSA
109 Ų
H-bond donors
6
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
15

SMILES C1=C(C2=C(N1)N=C(NC2=O)N)CN.Cl.Cl

Computed descriptors from PubChem (CID 136229764), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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