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Chemical structure of AN3199

GC31728

AN3199

Also known as butyl 6-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]pyridine-3-carboxylate

AN3199 is a PDE4 inhibitor with an IC50 of 94·5 nM

ChemicalCAS1187187-10-5MW327.14FormulaC17H18BNO5
CAS number
1187187-10-5
Molecular weight
327.14
Formula
C17H18BNO5
Solubility
DMSO : 100 mg/mL (305·68 mM)
InChIKey
BJXLLSAUQIAPDB-UHFFFAOYSA-N
Catalogue number
GC31728
Brand
GLPBIO
Computed properties PubChem CID 46884349 · TPSA 77.9 Ų · H-bond donors 1 · H-bond acceptors 6
TPSA
77.9 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
24

SMILES B1(C2=C(CO1)C=C(C=C2)OC3=NC=C(C=C3)C(=O)OCCCC)O

Computed descriptors from PubChem (CID 46884349), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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