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Chemical structure of TMP195

GC19360

TMP195

Also known as N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

TMP195 is a potent and selective class IIa HDAC inhibitor with IC50s of 59 nM, 60 nM, 26 nM and 15 nM for HDAC4, HDAC5, HDAC7 and HDAC9, respectively

ChemicalCAS1314891-22-9MW456.42FormulaC23H19F3N4O3
CAS number
1314891-22-9
Molecular weight
456.42
Formula
C23H19F3N4O3
Solubility
DMSO ： ≥ 100 mg/mL (219·10 mM);Water ： ＜ 0·1 mg/mL (insoluble)
InChIKey
QTCSXAUJBQZZSN-UHFFFAOYSA-N
Catalogue number
GC19360
Brand
GLPBIO
Computed properties PubChem CID 67324851 · XLogP 4.9 · TPSA 94.1 Ų · H-bond donors 1
XLogP
4.9
TPSA
94.1 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
33

SMILES CC(C)(CNC(=O)C1=CC=CC(=C1)C2=NOC(=N2)C(F)(F)F)C3=COC(=N3)C4=CC=CC=C4

Computed descriptors from PubChem (CID 67324851), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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