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Chemical structure of Timegadine

GC31965

Timegadine

Also listed as Timegadine (SR1368)

Timegadine (SR1368), a new antiinflammatory agent, is found to be a potent, competitive inhibitor of cyclo-oxygenase (COX) and lipo-oxygenase, with IC50s ranging from 5 nM (washed rabbit platelets) to 20 μM (rat brain) for COX and 100 μM for lipo-oxygenase both in the cytosol fraction of horse platelet homogenates, and in washed rabbit platelets

ChemicalCAS71079-19-1MW365.5FormulaC20H23N5S
CAS number
71079-19-1
Molecular weight
365.5
Formula
C20H23N5S
Solubility
Soluble in DMSO
InChIKey
SQVNITZYWXMWOG-UHFFFAOYSA-N
Catalogue number
GC31965
Brand
GLPBIO
Computed properties PubChem CID 68902 · XLogP 4.4 · TPSA 90.4 Ų · H-bond donors 2
XLogP
4.4
TPSA
90.4 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
26

SMILES CC1=NC2=CC=CC=C2C(=C1)NC(=NC3CCCCC3)NC4=NC=CS4

Computed descriptors from PubChem (CID 68902), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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