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Chemical structure of A 33

GC50419

A 33

Also known as 2-[4-[[2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidin-4-yl]amino]phenyl]acetic acid

A 33 is an orally active and selective PDE4B inhibitor with an IC50 of 15 nM

ChemicalCAS915082-52-9MW387.88FormulaC19H18ClN3O2S
CAS number
915082-52-9
Molecular weight
387.88
Formula
C19H18ClN3O2S
Solubility
38·7mg/ml in DMSO
InChIKey
FDVSPBLZPJMXFV-UHFFFAOYSA-N
Catalogue number
GC50419
Brand
GLPBIO
Computed properties PubChem CID 15951010 · XLogP 5.1 · TPSA 103 Ų · H-bond donors 2
XLogP
5.1
TPSA
103 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
26

SMILES CCC1=C(N=C(N=C1NC2=CC=C(C=C2)CC(=O)O)C3=CC=C(S3)Cl)C

Computed descriptors from PubChem (CID 15951010), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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